N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine

C12H19N3 — CID 116893201

IUPACN-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine
SMILESCCNCc1nc(C)cc(C2CCC2)n1
InChIInChI=1S/C12H19N3/c1-3-13-8-12-14-9(2)7-11(15-12)10-5-4-6-10/h7,10,13H,3-6,8H2,1-2H3
InChIKeyHRVJTOHDVSINTG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.16
Rot. Bonds4

About N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine

N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine (PubChem CID 116893201) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine
PubChem CID116893201
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine
SMILESCCNCc1nc(C)cc(C2CCC2)n1
InChIInChI=1S/C12H19N3/c1-3-13-8-12-14-9(2)7-11(15-12)10-5-4-6-10/h7,10,13H,3-6,8H2,1-2H3
InChIKeyHRVJTOHDVSINTG-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dicyclopropylpyrimidin-2-yl)methyl]ethanamine
CID 63319052
N-[(4-cyclopropyl-6-propylpyrimidin-2-yl)methyl]ethanamine
CID 63319051
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)propan-2-one
CID 116895464
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116893957
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol
CID 116894013
1-(4-cyclopentyl-6-methylpyrimidin-2-yl)-2-methylpropan-2-amine
CID 116892859
4-cyclobutyl-6-methylpyrimidin-2-amine
CID 116894620
1-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]butan-2-ol
CID 56878703
(2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride
CID 126566751
N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65333931
N-[[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]methyl]propan-2-amine
CID 116893231

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine (CID 116893201) is N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine is CCNCc1nc(C)cc(C2CCC2)n1.
What is the InChIKey of N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine?
The InChIKey is HRVJTOHDVSINTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-13-8-12-14-9(2)7-11(15-12)10-5-4-6-10/h7,10,13H,3-6,8H2,1-2H3.
What are the key properties of N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine?
N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutyl-6-methylpyrimidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 116893201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).