N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine

C13H21N3O — CID 133417857

IUPACN-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NC(C)C2CCC2)n1
InChIInChI=1S/C13H21N3O/c1-9-7-12(16-13(14-9)8-17-3)15-10(2)11-5-4-6-11/h7,10-11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeySHHUJHUIEPFPEB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.53
Rot. Bonds5

About N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine

N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine (PubChem CID 133417857) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
PubChem CID133417857
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(NC(C)C2CCC2)n1
InChIInChI=1S/C13H21N3O/c1-9-7-12(16-13(14-9)8-17-3)15-10(2)11-5-4-6-11/h7,10-11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeySHHUJHUIEPFPEB-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine
CID 62483644
2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417448
2-(methoxymethyl)-6-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-4-amine
CID 97234627
cis-(1S,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1-carboxylic acid
CID 138020678
N-(1-cyclobutylethyl)-1,5-dimethylpyrazol-3-amine
CID 130607965
2-(methoxymethyl)-6-methyl-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]pyrimidin-4-amine
CID 98559254
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 136529582
N-(1-cyclohexylethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80936916
[(1R,2R)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cycloheptyl]methanol
CID 97223315
1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417652
N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133350630
(2S)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]-3-phenylpropanoic acid
CID 122049534

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine (CID 133417857) is N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine is COCc1nc(C)cc(NC(C)C2CCC2)n1.
What is the InChIKey of N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
The InChIKey is SHHUJHUIEPFPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-7-12(16-13(14-9)8-17-3)15-10(2)11-5-4-6-11/h7,10-11H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine?
N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133417857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).