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

C15H19FN6 — CID 24745507

IUPAC4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CN(c2cc(NCc3cccc(F)c3)nc(N)n2)C1
InChIInChI=1S/C15H19FN6/c1-18-12-8-22(9-12)14-6-13(20-15(17)21-14)19-7-10-3-2-4-11(16)5-10/h2-6,12,18H,7-9H2,1H3,(H3,17,19,20,21)
InChIKeyFYTAYYAHRNTWSO-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.22
Rot. Bonds5

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

4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 24745507) has the molecular formula C15H19FN6 and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
PubChem CID24745507
Molecular FormulaC15H19FN6
Molecular Weight302.36 g/mol
Exact Mass302.17
IUPAC Name4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CN(c2cc(NCc3cccc(F)c3)nc(N)n2)C1
InChIInChI=1S/C15H19FN6/c1-18-12-8-22(9-12)14-6-13(20-15(17)21-14)19-7-10-3-2-4-11(16)5-10/h2-6,12,18H,7-9H2,1H3,(H3,17,19,20,21)
InChIKeyFYTAYYAHRNTWSO-UHFFFAOYSA-N
XLogP1.22
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine (CID 24745507) is 4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine is CNC1CN(c2cc(NCc3cccc(F)c3)nc(N)n2)C1.
What is the InChIKey of 4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is FYTAYYAHRNTWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6/c1-18-12-8-22(9-12)14-6-13(20-15(17)21-14)19-7-10-3-2-4-11(16)5-10/h2-6,12,18H,7-9H2,1H3,(H3,17,19,20,21).
What are the key properties of 4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 302.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-fluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 24745507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).