N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine

C12H20N4 — CID 106633706

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine
SMILESCc1nccc(CNCC2CCCCN2)n1
InChIInChI=1S/C12H20N4/c1-10-14-7-5-12(16-10)9-13-8-11-4-2-3-6-15-11/h5,7,11,13,15H,2-4,6,8-9H2,1H3
InChIKeyWVPDBIZDUKYUCC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.02
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine

N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine (PubChem CID 106633706) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine
PubChem CID106633706
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine
SMILESCc1nccc(CNCC2CCCCN2)n1
InChIInChI=1S/C12H20N4/c1-10-14-7-5-12(16-10)9-13-8-11-4-2-3-6-15-11/h5,7,11,13,15H,2-4,6,8-9H2,1H3
InChIKeyWVPDBIZDUKYUCC-UHFFFAOYSA-N
XLogP1.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 61015871
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
N-[(6-chloropyridazin-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 71640791
1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 64570983
N-(1,2-oxazol-5-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106415135
N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine
CID 97163969
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605712
1-(1-ethylpyrrolidin-3-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 55109731
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine (CID 106633706) is N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine is Cc1nccc(CNCC2CCCCN2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine?
The InChIKey is WVPDBIZDUKYUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-14-7-5-12(16-10)9-13-8-11-4-2-3-6-15-11/h5,7,11,13,15H,2-4,6,8-9H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-1-piperidin-2-ylmethanamine is sourced from PubChem (CID 106633706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).