5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine

C15H19ClN6 — CID 67157443

IUPAC5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CN(c2nc(N)nc(N)c2Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN6/c1-19-11-7-22(8-11)14-12(13(17)20-15(18)21-14)6-9-2-4-10(16)5-3-9/h2-5,11,19H,6-8H2,1H3,(H4,17,18,20,21)
InChIKeyFVROOVYNRJVDAV-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.29
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine

5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 67157443) has the molecular formula C15H19ClN6 and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
PubChem CID67157443
Molecular FormulaC15H19ClN6
Molecular Weight318.81 g/mol
Exact Mass318.14
IUPAC Name5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CN(c2nc(N)nc(N)c2Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN6/c1-19-11-7-22(8-11)14-12(13(17)20-15(18)21-14)6-9-2-4-10(16)5-3-9/h2-5,11,19H,6-8H2,1H3,(H4,17,18,20,21)
InChIKeyFVROOVYNRJVDAV-UHFFFAOYSA-N
XLogP1.29
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
CID 66741052
1-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 117002912
5-[(3-fluorophenyl)methyl]-6-[(3R)-3-methylpiperazin-1-yl]pyrimidine-2,4-diamine
CID 67156878
5-benzyl-6-chloropyrimidine-2,4-diamine
CID 45071766
8,9-dichloro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 74326567
1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
CID 135136650
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 126662892
8-methyl-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24738896
4-N-[(2,6-difluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 91407947
5-benzyl-4-chloro-6-pyrrolidin-1-ylpyrimidin-2-amine;5-benzyl-2,4-dichloro-6-pyrrolidin-1-ylpyrimidine;methane
CID 157390400
6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 25095032
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
CID 168990564

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine (CID 67157443) is 5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine is CNC1CN(c2nc(N)nc(N)c2Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is FVROOVYNRJVDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6/c1-19-11-7-22(8-11)14-12(13(17)20-15(18)21-14)6-9-2-4-10(16)5-3-9/h2-5,11,19H,6-8H2,1H3,(H4,17,18,20,21).
What are the key properties of 5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 318.81 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67157443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).