[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine

C11H16N4 — CID 126848081

IUPAC[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
SMILESNCC1CN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C11H16N4/c12-4-8-5-15(6-8)11-3-10(9-1-2-9)13-7-14-11/h3,7-9H,1-2,4-6,12H2
InChIKeyDKCPFQHPFFGGIF-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.75
Rot. Bonds3

About [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine

[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine (PubChem CID 126848081) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
PubChem CID126848081
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
SMILESNCC1CN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C11H16N4/c12-4-8-5-15(6-8)11-3-10(9-1-2-9)13-7-14-11/h3,7-9H,1-2,4-6,12H2
InChIKeyDKCPFQHPFFGGIF-UHFFFAOYSA-N
XLogP0.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
4-cyclopropyl-6-[3-(imidazol-1-ylmethyl)azetidin-1-yl]pyrimidine
CID 154580669
[(3R,5S)-1-(6-cyclopropylpyrimidin-4-yl)-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
CID 133111471
4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
CID 72839959
4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 163351027
[1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine
CID 126848573
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
4-cyclohexyl-6-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 167796179
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
5-(6-cyclopropylpyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126858092
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781

Frequently Asked Questions

What is the IUPAC name of [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine?
The IUPAC name of [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine (CID 126848081) is [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine.
What is the SMILES notation for [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine?
The canonical SMILES for [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine is NCC1CN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine?
The InChIKey is DKCPFQHPFFGGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c12-4-8-5-15(6-8)11-3-10(9-1-2-9)13-7-14-11/h3,7-9H,1-2,4-6,12H2.
What are the key properties of [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine?
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine has a molecular weight of 204.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine is sourced from PubChem (CID 126848081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).