[1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine

C12H20N4 — CID 126848573

IUPAC[1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine
SMILESCC(C)Cc1cc(N2CC(CN)C2)ncn1
InChIInChI=1S/C12H20N4/c1-9(2)3-11-4-12(15-8-14-11)16-6-10(5-13)7-16/h4,8-10H,3,5-7,13H2,1-2H3
InChIKeyOZCKCWYKGXBJIW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.07
Rot. Bonds4

About [1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine

[1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine (PubChem CID 126848573) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine
PubChem CID126848573
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine
SMILESCC(C)Cc1cc(N2CC(CN)C2)ncn1
InChIInChI=1S/C12H20N4/c1-9(2)3-11-4-12(15-8-14-11)16-6-10(5-13)7-16/h4,8-10H,3,5-7,13H2,1-2H3
InChIKeyOZCKCWYKGXBJIW-UHFFFAOYSA-N
XLogP1.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 126848081
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
ethyl 1-[6-(2-methylpropyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849766
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
4-methoxy-6-(2-methylpropyl)pyrimidine
CID 146431371
1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-amine
CID 66331612
4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine
CID 138019723
[4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506382
[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66334205
1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol
CID 126848634
[1-(6-methoxy-5-methylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 66325530

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine?
The IUPAC name of [1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine (CID 126848573) is [1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine.
What is the SMILES notation for [1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine?
The canonical SMILES for [1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine is CC(C)Cc1cc(N2CC(CN)C2)ncn1.
What is the InChIKey of [1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine?
The InChIKey is OZCKCWYKGXBJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)3-11-4-12(15-8-14-11)16-6-10(5-13)7-16/h4,8-10H,3,5-7,13H2,1-2H3.
What are the key properties of [1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine?
[1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine is sourced from PubChem (CID 126848573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).