5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine

C25H30N6 — CID 155709323

IUPAC5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
SMILESCCCC1(c2cccc(Nc3nc(Nc4ccc5c(c4)CNCC5)ncc3C)n2)CC1
InChIInChI=1S/C25H30N6/c1-3-10-25(11-12-25)21-5-4-6-22(29-21)30-23-17(2)15-27-24(31-23)28-20-8-7-18-9-13-26-16-19(18)14-20/h4-8,14-15,26H,3,9-13,16H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyGDZIARVHDPDKBC-UHFFFAOYSA-N
MW414.56 g/mol
LogP5.14
Rot. Bonds7

About 5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine

5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine (PubChem CID 155709323) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is 5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
PubChem CID155709323
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Name5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
SMILESCCCC1(c2cccc(Nc3nc(Nc4ccc5c(c4)CNCC5)ncc3C)n2)CC1
InChIInChI=1S/C25H30N6/c1-3-10-25(11-12-25)21-5-4-6-22(29-21)30-23-17(2)15-27-24(31-23)28-20-8-7-18-9-13-26-16-19(18)14-20/h4-8,14-15,26H,3,9-13,16H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyGDZIARVHDPDKBC-UHFFFAOYSA-N
XLogP5.14
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.56
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-cyclopropyl-4-[(6-fluoro-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557240
N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide
CID 176966927
4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557902
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
N-cyclopropyl-4-[[6-(oxetan-3-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 155709504
5-bromo-4-N-pyrimidin-2-yl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
CID 175357106
N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554162
N-cyclopropyl-4-[(6-propan-2-yloxy-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557366
6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
CID 70864138
3-(2,6-dimethylphenyl)-1-methyl-6-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 151585883
4-[(6-tert-butyl-2-pyridinyl)amino]-N-(cyclobutylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557484

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine (CID 155709323) is 5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine is CCCC1(c2cccc(Nc3nc(Nc4ccc5c(c4)CNCC5)ncc3C)n2)CC1.
What is the InChIKey of 5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine?
The InChIKey is GDZIARVHDPDKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6/c1-3-10-25(11-12-25)21-5-4-6-22(29-21)30-23-17(2)15-27-24(31-23)28-20-8-7-18-9-13-26-16-19(18)14-20/h4-8,14-15,26H,3,9-13,16H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of 5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine?
5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine has a molecular weight of 414.56 g/mol, XLogP of 5.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[6-(1-propylcyclopropyl)-2-pyridinyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155709323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).