N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine

C20H28N6 — CID 127244699

IUPACN-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cncc(C3CCN(C4CCCC4)CC3)n2)n1
InChIInChI=1S/C20H28N6/c1-14-11-15(2)23-20(22-14)25-19-13-21-12-18(24-19)16-7-9-26(10-8-16)17-5-3-4-6-17/h11-13,16-17H,3-10H2,1-2H3,(H,22,23,24,25)
InChIKeyMAGOMXPOBNKZBJ-UHFFFAOYSA-N
MW352.49 g/mol
LogP3.75
Rot. Bonds4

About N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine

N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 127244699) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
PubChem CID127244699
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC NameN-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cncc(C3CCN(C4CCCC4)CC3)n2)n1
InChIInChI=1S/C20H28N6/c1-14-11-15(2)23-20(22-14)25-19-13-21-12-18(24-19)16-7-9-26(10-8-16)17-5-3-4-6-17/h11-13,16-17H,3-10H2,1-2H3,(H,22,23,24,25)
InChIKeyMAGOMXPOBNKZBJ-UHFFFAOYSA-N
XLogP3.75
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681807
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-ethyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137642595
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-6-propan-2-ylpyrimidine-2,4-diamine
CID 137649245
US11530198, Example 59
CID 151664291
6-methyl-N-(1-methyl-2-pyrazin-2-ylethyl)-2-propylpyrimidin-4-amine
CID 50965065
4,6-dimethyl-N-(1-methyl-2-pyrazin-2-ylethyl)pyrimidin-2-amine
CID 50967182
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56704039
N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 56706955
4-cyclobutyl-6-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}pyrimidine
CID 56873336
4-cyclobutyl-N,6-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-2-amine
CID 56881049
9-(6-Isopropylpyrimidin-4-yl)-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 72873952
N,N-dimethyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 95816988

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine (CID 127244699) is N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2cncc(C3CCN(C4CCCC4)CC3)n2)n1.
What is the InChIKey of N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is MAGOMXPOBNKZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-14-11-15(2)23-20(22-14)25-19-13-21-12-18(24-19)16-7-9-26(10-8-16)17-5-3-4-6-17/h11-13,16-17H,3-10H2,1-2H3,(H,22,23,24,25).
What are the key properties of N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine?
N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 352.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 127244699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).