2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C16H23N7 — CID 122178555

IUPAC2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESNC1CCC(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1
InChIInChI=1S/C16H23N7/c17-11-3-5-12(6-4-11)19-16-18-8-7-14(21-16)20-15-9-13(22-23-15)10-1-2-10/h7-12H,1-6,17H2,(H3,18,19,20,21,22,23)
InChIKeyAONLJIQJHRPQBZ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.50
Rot. Bonds5

About 2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 122178555) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID122178555
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESNC1CCC(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1
InChIInChI=1S/C16H23N7/c17-11-3-5-12(6-4-11)19-16-18-8-7-14(21-16)20-15-9-13(22-23-15)10-1-2-10/h7-12H,1-6,17H2,(H3,18,19,20,21,22,23)
InChIKeyAONLJIQJHRPQBZ-UHFFFAOYSA-N
XLogP2.50
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 122178555) is 2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is NC1CCC(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is AONLJIQJHRPQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c17-11-3-5-12(6-4-11)19-16-18-8-7-14(21-16)20-15-9-13(22-23-15)10-1-2-10/h7-12H,1-6,17H2,(H3,18,19,20,21,22,23).
What are the key properties of 2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 313.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 122178555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).