2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine

C14H23N5O — CID 118549633

IUPAC2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCCN1CCN(c2nc(C)cc(NC3COC3)n2)CC1
InChIInChI=1S/C14H23N5O/c1-3-18-4-6-19(7-5-18)14-15-11(2)8-13(17-14)16-12-9-20-10-12/h8,12H,3-7,9-10H2,1-2H3,(H,15,16,17)
InChIKeyGDPFBKJVVJHNSL-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.74
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine

2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine (PubChem CID 118549633) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
PubChem CID118549633
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCCN1CCN(c2nc(C)cc(NC3COC3)n2)CC1
InChIInChI=1S/C14H23N5O/c1-3-18-4-6-19(7-5-18)14-15-11(2)8-13(17-14)16-12-9-20-10-12/h8,12H,3-7,9-10H2,1-2H3,(H,15,16,17)
InChIKeyGDPFBKJVVJHNSL-UHFFFAOYSA-N
XLogP0.74
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azetidin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90245533
1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 118549624
N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914456
N-cycloheptyl-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912292
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
N-(4-bromo-3-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914441
1-[4-[4-tert-butyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 118546942
N-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914414
2-(4-ethylpiperazin-1-yl)-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112914415
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112914411
2-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 112914409
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914386

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine (CID 118549633) is 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine is CCN1CCN(c2nc(C)cc(NC3COC3)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine?
The InChIKey is GDPFBKJVVJHNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-18-4-6-19(7-5-18)14-15-11(2)8-13(17-14)16-12-9-20-10-12/h8,12H,3-7,9-10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine?
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 118549633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).