N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine

C11H18N4O — CID 135136626

IUPACN-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
SMILESCNC1CN(c2ncc(OC(C)C)cn2)C1
InChIInChI=1S/C11H18N4O/c1-8(2)16-10-4-13-11(14-5-10)15-6-9(7-15)12-3/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyBZWLVVPLWCMFFC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds4

About N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine

N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine (PubChem CID 135136626) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
PubChem CID135136626
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine
SMILESCNC1CN(c2ncc(OC(C)C)cn2)C1
InChIInChI=1S/C11H18N4O/c1-8(2)16-10-4-13-11(14-5-10)15-6-9(7-15)12-3/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyBZWLVVPLWCMFFC-UHFFFAOYSA-N
XLogP0.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3aR,6aR)-2-(5-propan-2-yloxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 169123422
2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide
CID 135126264
5-(difluoromethoxy)-2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidine
CID 166704946
1-(5-methoxypyrimidin-2-yl)azetidin-3-ol
CID 118346552
(3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine
CID 133134026
(3R,4S)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 154898279
(2-benzyl-2-azaspiro[3.3]heptan-6-yl) (2S,6R)-2,6-dimethyl-4-(5-propan-2-yloxypyrimidin-2-yl)piperazine-1-carboxylate
CID 177077746
1-(5-ethylpyrimidin-2-yl)-N-methylpiperidin-3-amine
CID 116976178
2-(3-propan-2-ylazetidin-1-yl)pyrimidine
CID 130933035
N,5,5-trimethyl-1-(4-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018247
2-[1-(5-methylpyrimidin-2-yl)azetidin-3-yl]propanoic acid
CID 116681869
2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 175897249

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine?
The IUPAC name of N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine (CID 135136626) is N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine.
What is the SMILES notation for N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine?
The canonical SMILES for N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine is CNC1CN(c2ncc(OC(C)C)cn2)C1.
What is the InChIKey of N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine?
The InChIKey is BZWLVVPLWCMFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(2)16-10-4-13-11(14-5-10)15-6-9(7-15)12-3/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine?
N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-amine is sourced from PubChem (CID 135136626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).