N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide

C25H31N7O — CID 142557319

IUPACN-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNCC3)nc1Nc1ccnc(C(C)C)c1
InChIInChI=1S/C25H31N7O/c1-15(2)22-12-20(8-10-27-22)30-23-21(24(33)29-16(3)4)14-28-25(32-23)31-19-6-5-17-7-9-26-13-18(17)11-19/h5-6,8,10-12,14-16,26H,7,9,13H2,1-4H3,(H,29,33)(H2,27,28,30,31,32)
InChIKeyFSTBIVLJEQASJX-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.27
Rot. Bonds7

About N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide

N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide (PubChem CID 142557319) has the molecular formula C25H31N7O and a molecular weight of 445.57 g/mol. Its IUPAC name is N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
PubChem CID142557319
Molecular FormulaC25H31N7O
Molecular Weight445.57 g/mol
Exact Mass445.26
IUPAC NameN-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNCC3)nc1Nc1ccnc(C(C)C)c1
InChIInChI=1S/C25H31N7O/c1-15(2)22-12-20(8-10-27-22)30-23-21(24(33)29-16(3)4)14-28-25(32-23)31-19-6-5-17-7-9-26-13-18(17)11-19/h5-6,8,10-12,14-16,26H,7,9,13H2,1-4H3,(H,29,33)(H2,27,28,30,31,32)
InChIKeyFSTBIVLJEQASJX-UHFFFAOYSA-N
XLogP4.27
TPSA103.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-(4-fluoroanilino)-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557766
4-[[2-(1-cyanocyclopropyl)-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155709224
4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155202965
4-[(2-tert-butylfuran-3-yl)amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557886
4-[[2-(2-cyanopropan-2-yl)-4-pyridinyl]amino]-2-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 155709595
4-[(2-tert-butyl-4-pyridinyl)amino]-2-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 142557639
4-[[2-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-pyridinyl]amino]-N-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557438
4-[[2-(2-cyanopropan-2-yl)-4-pyridinyl]amino]-N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 155709498
4-[(2-tert-butyl-4-pyridinyl)amino]-N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554164
N-ethyl-4-[(6-propan-2-yloxy-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557620
4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
CID 142557248
N-cyclopropyl-4-[[2-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557419

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide (CID 142557319) is N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CNCC3)nc1Nc1ccnc(C(C)C)c1.
What is the InChIKey of N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide?
The InChIKey is FSTBIVLJEQASJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O/c1-15(2)22-12-20(8-10-27-22)30-23-21(24(33)29-16(3)4)14-28-25(32-23)31-19-6-5-17-7-9-26-13-18(17)11-19/h5-6,8,10-12,14-16,26H,7,9,13H2,1-4H3,(H,29,33)(H2,27,28,30,31,32).
What are the key properties of N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide?
N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 4.27, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 142557319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).