4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine

C23H29N7 — CID 59757883

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN3CCCC3)cc2)n1
InChIInChI=1S/C23H29N7/c1-16-14-21(26-22-15-20(28-29-22)18-6-7-18)27-23(24-16)25-19-8-4-17(5-9-19)10-13-30-11-2-3-12-30/h4-5,8-9,14-15,18H,2-3,6-7,10-13H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyLEMMCWCDMMUDAY-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.51
Rot. Bonds8

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 59757883) has the molecular formula C23H29N7 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID59757883
Molecular FormulaC23H29N7
Molecular Weight403.53 g/mol
Exact Mass403.25
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN3CCCC3)cc2)n1
InChIInChI=1S/C23H29N7/c1-16-14-21(26-22-15-20(28-29-22)18-6-7-18)27-23(24-16)25-19-8-4-17(5-9-19)10-13-30-11-2-3-12-30/h4-5,8-9,14-15,18H,2-3,6-7,10-13H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyLEMMCWCDMMUDAY-UHFFFAOYSA-N
XLogP4.51
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Enmd-2076
CID 16041424
AZ-960
CID 25099184
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949247
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
2-(4-aminophenyl)-6-tert-butyl-1H-pyrazolo(1,5-b)(1,2,4)triazole
CID 15333433
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 24949398
N-(4-isopropylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308416
5-bromo-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949399
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1R)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949400
2-(4-((4-((5-Cyclopropyl-1H-pyrazol-3-yl)amino)-6-methylpyrimidin-2-yl)amino)phenyl)acetonitrile
CID 45111335

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine (CID 59757883) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN3CCCC3)cc2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is LEMMCWCDMMUDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7/c1-16-14-21(26-22-15-20(28-29-22)18-6-7-18)27-23(24-16)25-19-8-4-17(5-9-19)10-13-30-11-2-3-12-30/h4-5,8-9,14-15,18H,2-3,6-7,10-13H2,1H3,(H3,24,25,26,27,28,29).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 403.53 g/mol, XLogP of 4.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59757883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).