N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride

C11H18ClN3 — CID 115680392

IUPACN-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride
SMILESCC1(CNCc2cncnc2)CCC1.Cl
InChIInChI=1S/C11H17N3.ClH/c1-11(3-2-4-11)8-12-5-10-6-13-9-14-7-10;/h6-7,9,12H,2-5,8H2,1H3;1H
InChIKeyAUOFMTZBITWJCL-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.18
Rot. Bonds4

About N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride

N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride (PubChem CID 115680392) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride
PubChem CID115680392
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride
SMILESCC1(CNCc2cncnc2)CCC1.Cl
InChIInChI=1S/C11H17N3.ClH/c1-11(3-2-4-11)8-12-5-10-6-13-9-14-7-10;/h6-7,9,12H,2-5,8H2,1H3;1H
InChIKeyAUOFMTZBITWJCL-UHFFFAOYSA-N
XLogP2.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine
CID 63821994
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylmethanamine
CID 63822892
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
2,6-dimethyl-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 63822199
N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride
CID 115680477
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-methylcyclobutyl)methyl]-1-(5-nitrothiophen-3-yl)methanamine;hydrochloride
CID 115680468
N-[(1-methylcyclopentyl)methyl]-2-pyridin-3-ylethanamine
CID 63823125

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride (CID 115680392) is N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride is CC1(CNCc2cncnc2)CCC1.Cl.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride?
The InChIKey is AUOFMTZBITWJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.ClH/c1-11(3-2-4-11)8-12-5-10-6-13-9-14-7-10;/h6-7,9,12H,2-5,8H2,1H3;1H.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride?
N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride is sourced from PubChem (CID 115680392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).