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

C11H17F3N6 — CID 24745504

IUPAC6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
SMILESCNC1CN(c2cc(NCCC(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C11H17F3N6/c1-16-7-5-20(6-7)9-4-8(18-10(15)19-9)17-3-2-11(12,13)14/h4,7,16H,2-3,5-6H2,1H3,(H3,15,17,18,19)
InChIKeyNOUBSMQNDIEJHD-UHFFFAOYSA-N
MW290.29 g/mol
LogP0.83
Rot. Bonds5

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

6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine (PubChem CID 24745504) has the molecular formula C11H17F3N6 and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
PubChem CID24745504
Molecular FormulaC11H17F3N6
Molecular Weight290.29 g/mol
Exact Mass290.15
IUPAC Name6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
SMILESCNC1CN(c2cc(NCCC(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C11H17F3N6/c1-16-7-5-20(6-7)9-4-8(18-10(15)19-9)17-3-2-11(12,13)14/h4,7,16H,2-3,5-6H2,1H3,(H3,15,17,18,19)
InChIKeyNOUBSMQNDIEJHD-UHFFFAOYSA-N
XLogP0.83
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine (CID 24745504) is 6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine is CNC1CN(c2cc(NCCC(F)(F)F)nc(N)n2)C1.
What is the InChIKey of 6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The InChIKey is NOUBSMQNDIEJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6/c1-16-7-5-20(6-7)9-4-8(18-10(15)19-9)17-3-2-11(12,13)14/h4,7,16H,2-3,5-6H2,1H3,(H3,15,17,18,19).
What are the key properties of 6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine has a molecular weight of 290.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)azetidin-1-yl]-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 24745504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).