4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

C15H19N5O — CID 11471669

IUPAC4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(-c3ccc(OC)cc3)nc(N)n2)C1
InChIInChI=1S/C15H19N5O/c1-17-11-8-20(9-11)14-7-13(18-15(16)19-14)10-3-5-12(21-2)6-4-10/h3-7,11,17H,8-9H2,1-2H3,(H2,16,18,19)
InChIKeyACWNNYCVVWUKQB-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.14
Rot. Bonds4

About 4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine

4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (PubChem CID 11471669) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
PubChem CID11471669
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(-c3ccc(OC)cc3)nc(N)n2)C1
InChIInChI=1S/C15H19N5O/c1-17-11-8-20(9-11)14-7-13(18-15(16)19-14)10-3-5-12(21-2)6-4-10/h3-7,11,17H,8-9H2,1-2H3,(H2,16,18,19)
InChIKeyACWNNYCVVWUKQB-UHFFFAOYSA-N
XLogP1.14
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine (CID 11471669) is 4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is CNC1CN(c2cc(-c3ccc(OC)cc3)nc(N)n2)C1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
The InChIKey is ACWNNYCVVWUKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-17-11-8-20(9-11)14-7-13(18-15(16)19-14)10-3-5-12(21-2)6-4-10/h3-7,11,17H,8-9H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine?
4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 11471669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).