6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine

C10H18N6 — CID 67157216

IUPAC6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CC(N)C2)nc(N)n1
InChIInChI=1S/C10H18N6/c1-2-3-13-8-4-9(15-10(12)14-8)16-5-7(11)6-16/h4,7H,2-3,5-6,11H2,1H3,(H3,12,13,14,15)
InChIKeySWQMTRAVIMPYPH-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.03
Rot. Bonds4

About 6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine

6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 67157216) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID67157216
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(N2CC(N)C2)nc(N)n1
InChIInChI=1S/C10H18N6/c1-2-3-13-8-4-9(15-10(12)14-8)16-5-7(11)6-16/h4,7H,2-3,5-6,11H2,1H3,(H3,12,13,14,15)
InChIKeySWQMTRAVIMPYPH-UHFFFAOYSA-N
XLogP0.03
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine
CID 115563060
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833
6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80762545
6-(4-ethyl-3-methylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80834201
4-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidine-2,4-diamine
CID 80796760
1-[2-amino-6-(butylamino)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048402
8-[2-amino-6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845815
4-[2-amino-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 80843065
4-(3-aminoazetidin-1-yl)-6-tert-butylpyrimidin-2-amine
CID 24996858
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80856846
6-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 103541915
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-4-N-(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 91427725

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine (CID 67157216) is 6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(N2CC(N)C2)nc(N)n1.
What is the InChIKey of 6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is SWQMTRAVIMPYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-2-3-13-8-4-9(15-10(12)14-8)16-5-7(11)6-16/h4,7H,2-3,5-6,11H2,1H3,(H3,12,13,14,15).
What are the key properties of 6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine?
6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 222.30 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminoazetidin-1-yl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 67157216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).