4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine

C17H25N7 — CID 70762599

IUPAC4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1nccc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)n1
InChIInChI=1S/C17H25N7/c18-17-19-7-6-16(21-17)20-11-13-10-15-12-23(8-9-24(15)22-13)14-4-2-1-3-5-14/h6-7,10,14H,1-5,8-9,11-12H2,(H3,18,19,20,21)
InChIKeyWSFQDVDVUJBZGV-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.02
Rot. Bonds4

About 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine

4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 70762599) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID70762599
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine
SMILESNc1nccc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)n1
InChIInChI=1S/C17H25N7/c18-17-19-7-6-16(21-17)20-11-13-10-15-12-23(8-9-24(15)22-13)14-4-2-1-3-5-14/h6-7,10,14H,1-5,8-9,11-12H2,(H3,18,19,20,21)
InChIKeyWSFQDVDVUJBZGV-UHFFFAOYSA-N
XLogP2.02
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine (CID 70762599) is 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine is Nc1nccc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)n1.
What is the InChIKey of 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is WSFQDVDVUJBZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c18-17-19-7-6-16(21-17)20-11-13-10-15-12-23(8-9-24(15)22-13)14-4-2-1-3-5-14/h6-7,10,14H,1-5,8-9,11-12H2,(H3,18,19,20,21).
What are the key properties of 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine?
4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 327.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 70762599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).