N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine

C12H19N3O — CID 133460018

IUPACN-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine
SMILESCOC1(CNc2ncc(C)c(C)n2)CCC1
InChIInChI=1S/C12H19N3O/c1-9-7-13-11(15-10(9)2)14-8-12(16-3)5-4-6-12/h7H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyKRZBMDDLHNSEFK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds4

About N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine

N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine (PubChem CID 133460018) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine
PubChem CID133460018
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine
SMILESCOC1(CNc2ncc(C)c(C)n2)CCC1
InChIInChI=1S/C12H19N3O/c1-9-7-13-11(15-10(9)2)14-8-12(16-3)5-4-6-12/h7H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyKRZBMDDLHNSEFK-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
CID 114119677
4-[(1-methoxycyclobutyl)methylamino]-2-methylpyrimidine-5-carbothioamide
CID 112755525
ethyl 2-[(3-methoxyoxolan-3-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104705516
2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133460079
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166
5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103989784
2-chloro-N-[(1-methoxycyclobutyl)methyl]pyrimidin-4-amine
CID 103989622
N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462458
2-[6-[(1-methoxycyclobutyl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273786
6-ethoxy-N-[(1-methoxycyclobutyl)methyl]pyridin-2-amine
CID 114119681
N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756789
N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133460026

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine (CID 133460018) is N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine is COC1(CNc2ncc(C)c(C)n2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine?
The InChIKey is KRZBMDDLHNSEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-13-11(15-10(9)2)14-8-12(16-3)5-4-6-12/h7H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine?
N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 133460018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).