6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

C18H26N6 — CID 126887894

IUPAC6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3c4c(nn3C)CCC4)CC2)ncn1
InChIInChI=1S/C18H26N6/c1-13-10-18(20-12-19-13)21-14-6-8-24(9-7-14)11-17-15-4-3-5-16(15)22-23(17)2/h10,12,14H,3-9,11H2,1-2H3,(H,19,20,21)
InChIKeyVNATUMHKUPLWIH-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.08
Rot. Bonds4

About 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887894) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887894
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3c4c(nn3C)CCC4)CC2)ncn1
InChIInChI=1S/C18H26N6/c1-13-10-18(20-12-19-13)21-14-6-8-24(9-7-14)11-17-15-4-3-5-16(15)22-23(17)2/h10,12,14H,3-9,11H2,1-2H3,(H,19,20,21)
InChIKeyVNATUMHKUPLWIH-UHFFFAOYSA-N
XLogP2.08
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-3-[[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydroindazole
CID 163348966
6-methyl-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887741
N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
1-methyl-7-[[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]azepan-2-one
CID 126887688
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
6-methyl-N-[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887752
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126887559
2-methyl-3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 126946702
2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 155941912
N-[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887700
1-[2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126887717
2-methyl-3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 163357654

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887894) is 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(Cc3c4c(nn3C)CCC4)CC2)ncn1.
What is the InChIKey of 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is VNATUMHKUPLWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-13-10-18(20-12-19-13)21-14-6-8-24(9-7-14)11-17-15-4-3-5-16(15)22-23(17)2/h10,12,14H,3-9,11H2,1-2H3,(H,19,20,21).
What are the key properties of 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 326.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).