N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine

C13H22N6 — CID 144655908

IUPACN-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN1CCN(c2nccc(NC3CNC3)n2)CC1
InChIInChI=1S/C13H22N6/c1-2-18-5-7-19(8-6-18)13-15-4-3-12(17-13)16-11-9-14-10-11/h3-4,11,14H,2,5-10H2,1H3,(H,15,16,17)
InChIKeyDZRKEWKKPLASKN-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.00
Rot. Bonds4

About N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine

N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 144655908) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID144655908
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN1CCN(c2nccc(NC3CNC3)n2)CC1
InChIInChI=1S/C13H22N6/c1-2-18-5-7-19(8-6-18)13-15-4-3-12(17-13)16-11-9-14-10-11/h3-4,11,14H,2,5-10H2,1H3,(H,15,16,17)
InChIKeyDZRKEWKKPLASKN-UHFFFAOYSA-N
XLogP0.00
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112888381
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884053
1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 144655538
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
2-[[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112888497
2-(4-ethylpiperazin-1-yl)-4-(trichloromethyl)pyrimidine
CID 70394813
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885063
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549633

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine (CID 144655908) is N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine is CCN1CCN(c2nccc(NC3CNC3)n2)CC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is DZRKEWKKPLASKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-2-18-5-7-19(8-6-18)13-15-4-3-12(17-13)16-11-9-14-10-11/h3-4,11,14H,2,5-10H2,1H3,(H,15,16,17).
What are the key properties of N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine?
N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 144655908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).