4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine

C14H22N6 — CID 56683257

IUPAC4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine
SMILESCC(C)c1[nH]nc2c(NC3CCC(N)CC3)ncnc12
InChIInChI=1S/C14H22N6/c1-8(2)11-12-13(20-19-11)14(17-7-16-12)18-10-5-3-9(15)4-6-10/h7-10H,3-6,15H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeySEHAXYJFDFRAFZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.16
Rot. Bonds3

About 4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine

4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine (PubChem CID 56683257) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine
PubChem CID56683257
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine
SMILESCC(C)c1[nH]nc2c(NC3CCC(N)CC3)ncnc12
InChIInChI=1S/C14H22N6/c1-8(2)11-12-13(20-19-11)14(17-7-16-12)18-10-5-3-9(15)4-6-10/h7-10H,3-6,15H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeySEHAXYJFDFRAFZ-UHFFFAOYSA-N
XLogP2.16
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine (CID 56683257) is 4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine is CC(C)c1[nH]nc2c(NC3CCC(N)CC3)ncnc12.
What is the InChIKey of 4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine?
The InChIKey is SEHAXYJFDFRAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-8(2)11-12-13(20-19-11)14(17-7-16-12)18-10-5-3-9(15)4-6-10/h7-10H,3-6,15H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine?
4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 56683257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).