4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine

C8H13N5 — CID 155533291

IUPAC4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CC(N)C2)nc(N)n1
InChIInChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12)
InChIKeyNNRWOZRAHOUFDJ-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.49
Rot. Bonds1

About 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine

4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 155533291) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID155533291
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CC(N)C2)nc(N)n1
InChIInChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12)
InChIKeyNNRWOZRAHOUFDJ-UHFFFAOYSA-N
XLogP-0.49
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2,6-Dimethyl-4-aminopyrimidine
CID 68039
4-N-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 16202258
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 3228743
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
4-Ethyl-6-[3-(methylamino)-1-azetidinyl]-2-pyrimidinamine
CID 42623567
4-Isopropyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623731
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46225979
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
CID 53258370
4-(3-Amino-1-azetidinyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 59777245
2-chloro-N-ethyl-6-methylpyrimidin-4-amine
CID 312603

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine (CID 155533291) is 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CC(N)C2)nc(N)n1.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is NNRWOZRAHOUFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12).
What are the key properties of 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine?
4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 179.23 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoazetidin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 155533291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).