N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine

C21H29N9 — CID 166340886

IUPACN-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCN(c1nccc(N2CCN(c3ncnc4c3cnn4C)CC2)n1)C1CCCCC1
InChIInChI=1S/C21H29N9/c1-27(16-6-4-3-5-7-16)21-22-9-8-18(26-21)29-10-12-30(13-11-29)20-17-14-25-28(2)19(17)23-15-24-20/h8-9,14-16H,3-7,10-13H2,1-2H3
InChIKeyOMCWBVIZVGYMCB-UHFFFAOYSA-N
MW407.53 g/mol
LogP2.25
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine

N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 166340886) has the molecular formula C21H29N9 and a molecular weight of 407.53 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID166340886
Molecular FormulaC21H29N9
Molecular Weight407.53 g/mol
Exact Mass407.25
IUPAC NameN-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCN(c1nccc(N2CCN(c3ncnc4c3cnn4C)CC2)n1)C1CCCCC1
InChIInChI=1S/C21H29N9/c1-27(16-6-4-3-5-7-16)21-22-9-8-18(26-21)29-10-12-30(13-11-29)20-17-14-25-28(2)19(17)23-15-24-20/h8-9,14-16H,3-7,10-13H2,1-2H3
InChIKeyOMCWBVIZVGYMCB-UHFFFAOYSA-N
XLogP2.25
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-cycloheptyl-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 47159325
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 154829246
N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 155942665
4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 48933564
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 51334034
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine (CID 166340886) is N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine is CN(c1nccc(N2CCN(c3ncnc4c3cnn4C)CC2)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is OMCWBVIZVGYMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N9/c1-27(16-6-4-3-5-7-16)21-22-9-8-18(26-21)29-10-12-30(13-11-29)20-17-14-25-28(2)19(17)23-15-24-20/h8-9,14-16H,3-7,10-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 407.53 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 166340886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).