3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine

C17H29N7 — CID 144611414

IUPAC3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C2CCC(N3CCN(C)CC3)CC2)c2c1C(N)=NCN2
InChIInChI=1S/C17H29N7/c1-12-15-16(18)19-11-20-17(15)24(21-12)14-5-3-13(4-6-14)23-9-7-22(2)8-10-23/h13-14,20H,3-11H2,1-2H3,(H2,18,19)
InChIKeyVALNTYQJPOJFCI-UHFFFAOYSA-N
MW331.47 g/mol
LogP1.01
Rot. Bonds2

About 3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine

3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 144611414) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is 3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID144611414
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC Name3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C2CCC(N3CCN(C)CC3)CC2)c2c1C(N)=NCN2
InChIInChI=1S/C17H29N7/c1-12-15-16(18)19-11-20-17(15)24(21-12)14-5-3-13(4-6-14)23-9-7-22(2)8-10-23/h13-14,20H,3-11H2,1-2H3,(H2,18,19)
InChIKeyVALNTYQJPOJFCI-UHFFFAOYSA-N
XLogP1.01
TPSA74.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine (CID 144611414) is 3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine is Cc1nn(C2CCC(N3CCN(C)CC3)CC2)c2c1C(N)=NCN2.
What is the InChIKey of 3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VALNTYQJPOJFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-12-15-16(18)19-11-20-17(15)24(21-12)14-5-3-13(4-6-14)23-9-7-22(2)8-10-23/h13-14,20H,3-11H2,1-2H3,(H2,18,19).
What are the key properties of 3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine?
3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 331.47 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 144611414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).