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

C14H26N6 — CID 24745506

IUPAC4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1
InChIInChI=1S/C14H26N6/c1-14(2,3)5-6-17-11-7-12(19-13(15)18-11)20-8-10(9-20)16-4/h7,10,16H,5-6,8-9H2,1-4H3,(H3,15,17,18,19)
InChIKeySUCIUIKQEGHDNX-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.31
Rot. Bonds5

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

4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 24745506) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
PubChem CID24745506
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1
InChIInChI=1S/C14H26N6/c1-14(2,3)5-6-17-11-7-12(19-13(15)18-11)20-8-10(9-20)16-4/h7,10,16H,5-6,8-9H2,1-4H3,(H3,15,17,18,19)
InChIKeySUCIUIKQEGHDNX-UHFFFAOYSA-N
XLogP1.31
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]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 4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine (CID 24745506) is 4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine is CNC1CN(c2cc(NCCC(C)(C)C)nc(N)n2)C1.
What is the InChIKey of 4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is SUCIUIKQEGHDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-14(2,3)5-6-17-11-7-12(19-13(15)18-11)20-8-10(9-20)16-4/h7,10,16H,5-6,8-9H2,1-4H3,(H3,15,17,18,19).
What are the key properties of 4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 24745506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).