4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide

C24H27N7O2 — CID 142557902

IUPAC4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc3c(c2)CNCC3)nc1Nc1cccc(OC2CC2)n1
InChIInChI=1S/C24H27N7O2/c1-2-26-23(32)19-14-27-24(28-17-7-6-15-10-11-25-13-16(15)12-17)31-22(19)30-20-4-3-5-21(29-20)33-18-8-9-18/h3-7,12,14,18,25H,2,8-11,13H2,1H3,(H,26,32)(H2,27,28,29,30,31)
InChIKeyLRKCCZCWUXOBCN-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.30
Rot. Bonds8

About 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide

4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide (PubChem CID 142557902) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
PubChem CID142557902
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc3c(c2)CNCC3)nc1Nc1cccc(OC2CC2)n1
InChIInChI=1S/C24H27N7O2/c1-2-26-23(32)19-14-27-24(28-17-7-6-15-10-11-25-13-16(15)12-17)31-22(19)30-20-4-3-5-21(29-20)33-18-8-9-18/h3-7,12,14,18,25H,2,8-11,13H2,1H3,(H,26,32)(H2,27,28,29,30,31)
InChIKeyLRKCCZCWUXOBCN-UHFFFAOYSA-N
XLogP3.30
TPSA113.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-ethyl-4-[(6-propan-2-yloxy-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557620
N-ethyl-4-[[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]amino]-2-(3-phenylanilino)pyrimidine-5-carboxamide
CID 172629254
4-[(6-tert-butyl-2-pyridinyl)amino]-N-(cyclobutylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557484
N-cyclopropyl-4-[(6-propan-2-yloxy-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557366
N-cyclopropyl-4-[(6-fluoro-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557240
N-cyclopropyl-4-[[6-(1-hydroxy-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557605
4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554048
N-cyclopropyl-4-[[6-(oxetan-3-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 155709504
N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554162
4-(cyclopropylamino)-N-(2-hydroxyethyl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 156831641
4-[[6-(2-cyanopropan-2-yl)-5-fluoro-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 155203064
1-(6-cyclobutyloxy-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537069

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide (CID 142557902) is 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide is CCNC(=O)c1cnc(Nc2ccc3c(c2)CNCC3)nc1Nc1cccc(OC2CC2)n1.
What is the InChIKey of 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide?
The InChIKey is LRKCCZCWUXOBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-2-26-23(32)19-14-27-24(28-17-7-6-15-10-11-25-13-16(15)12-17)31-22(19)30-20-4-3-5-21(29-20)33-18-8-9-18/h3-7,12,14,18,25H,2,8-11,13H2,1H3,(H,26,32)(H2,27,28,29,30,31).
What are the key properties of 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide?
4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 3.30, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 142557902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).