N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine

C12H19N3 — CID 63821994

IUPACN-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine
SMILESCC1(CNCc2cncnc2)CCCC1
InChIInChI=1S/C12H19N3/c1-12(4-2-3-5-12)9-13-6-11-7-14-10-15-8-11/h7-8,10,13H,2-6,9H2,1H3
InChIKeyJTECMHVUAAJNIG-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.15
Rot. Bonds4

About N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine

N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine (PubChem CID 63821994) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine
PubChem CID63821994
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine
SMILESCC1(CNCc2cncnc2)CCCC1
InChIInChI=1S/C12H19N3/c1-12(4-2-3-5-12)9-13-6-11-7-14-10-15-8-11/h7-8,10,13H,2-6,9H2,1H3
InChIKeyJTECMHVUAAJNIG-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride
CID 115680392
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 63822199
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094805
1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine
CID 107166584
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080
1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753060
1-(4-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984608
N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine
CID 63823125
2,6-difluoro-4-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103753065
1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822889

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine (CID 63821994) is N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine is CC1(CNCc2cncnc2)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine?
The InChIKey is JTECMHVUAAJNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(4-2-3-5-12)9-13-6-11-7-14-10-15-8-11/h7-8,10,13H,2-6,9H2,1H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine?
N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine has a molecular weight of 205.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 63821994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).