N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine

C16H24N6 — CID 131897235

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nn(C)cc1CN(C)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H24N6/c1-13-14(11-21(3)19-13)10-20(2)15-9-16(18-12-17-15)22-7-5-4-6-8-22/h9,11-12H,4-8,10H2,1-3H3
InChIKeyLAMVENFCXRQWHR-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.15
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 131897235) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID131897235
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nn(C)cc1CN(C)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H24N6/c1-13-14(11-21(3)19-13)10-20(2)15-9-16(18-12-17-15)22-7-5-4-6-8-22/h9,11-12H,4-8,10H2,1-3H3
InChIKeyLAMVENFCXRQWHR-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine with MolForge

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Related Compounds

1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413104
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 115265221
(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 100648038
N-benzyl-N-ethyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855661
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-methylsulfanylaniline
CID 86791673
4-[6-[benzyl(methyl)amino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858208
N,N-diethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858075
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133431923

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine (CID 131897235) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine is Cc1nn(C)cc1CN(C)c1cc(N2CCCCC2)ncn1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is LAMVENFCXRQWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-13-14(11-21(3)19-13)10-20(2)15-9-16(18-12-17-15)22-7-5-4-6-8-22/h9,11-12H,4-8,10H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 131897235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).