1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine

C13H23N5 — CID 107542094

IUPAC1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCc1cc(CN)nc(N2CCCC(N(C)C)C2)n1
InChIInChI=1S/C13H23N5/c1-10-7-11(8-14)16-13(15-10)18-6-4-5-12(9-18)17(2)3/h7,12H,4-6,8-9,14H2,1-3H3
InChIKeyLXBGRPNEEOYUNJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.77
Rot. Bonds3

About 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine

1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine (PubChem CID 107542094) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
PubChem CID107542094
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
SMILESCc1cc(CN)nc(N2CCCC(N(C)C)C2)n1
InChIInChI=1S/C13H23N5/c1-10-7-11(8-14)16-13(15-10)18-6-4-5-12(9-18)17(2)3/h7,12H,4-6,8-9,14H2,1-3H3
InChIKeyLXBGRPNEEOYUNJ-UHFFFAOYSA-N
XLogP0.77
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542020
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
[6-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541701
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 56872555
1-[6-(aminomethyl)pyrazin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 66449162
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80635823
[1-(4-ethyl-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 69451869
6-[3-(dimethylamino)piperidin-1-yl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80833498
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 83184413
2-(3-bromopiperidin-1-yl)-4,6-dimethylpyrimidine
CID 80673034

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine (CID 107542094) is 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine is Cc1cc(CN)nc(N2CCCC(N(C)C)C2)n1.
What is the InChIKey of 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is LXBGRPNEEOYUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-7-11(8-14)16-13(15-10)18-6-4-5-12(9-18)17(2)3/h7,12H,4-6,8-9,14H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine?
1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 107542094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).