2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine

C20H27N7 — CID 144567790

IUPAC2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCC(C)Cn1cc(-c2cnc(N)c3cnc(NC4CCCCC4)nc23)cn1
InChIInChI=1S/C20H27N7/c1-13(2)11-27-12-14(8-24-27)16-9-22-19(21)17-10-23-20(26-18(16)17)25-15-6-4-3-5-7-15/h8-10,12-13,15H,3-7,11H2,1-2H3,(H2,21,22)(H,23,25,26)
InChIKeyXAEXRENFLVXDTM-UHFFFAOYSA-N
MW365.49 g/mol
LogP3.87
Rot. Bonds5

About 2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine

2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine (PubChem CID 144567790) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine
PubChem CID144567790
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine
SMILESCC(C)Cn1cc(-c2cnc(N)c3cnc(NC4CCCCC4)nc23)cn1
InChIInChI=1S/C20H27N7/c1-13(2)11-27-12-14(8-24-27)16-9-22-19(21)17-10-23-20(26-18(16)17)25-15-6-4-3-5-7-15/h8-10,12-13,15H,3-7,11H2,1-2H3,(H2,21,22)(H,23,25,26)
InChIKeyXAEXRENFLVXDTM-UHFFFAOYSA-N
XLogP3.87
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine?
The IUPAC name of 2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine (CID 144567790) is 2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine is CC(C)Cn1cc(-c2cnc(N)c3cnc(NC4CCCCC4)nc23)cn1.
What is the InChIKey of 2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine?
The InChIKey is XAEXRENFLVXDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-13(2)11-27-12-14(8-24-27)16-9-22-19(21)17-10-23-20(26-18(16)17)25-15-6-4-3-5-7-15/h8-10,12-13,15H,3-7,11H2,1-2H3,(H2,21,22)(H,23,25,26).
What are the key properties of 2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine?
2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine has a molecular weight of 365.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-8-[1-(2-methylpropyl)pyrazol-4-yl]pyrido[4,3-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 144567790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).