2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

C15H19N7O — CID 95842808

IUPAC2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1
InChIInChI=1S/C15H19N7O/c16-8-14(23)22-7-1-2-11(10-22)12-3-4-19-15(20-12)21-13-9-17-5-6-18-13/h3-6,9,11H,1-2,7-8,10,16H2,(H,18,19,20,21)/t11-/m0/s1
InChIKeyBCQDGCGAPCYINB-NSHDSACASA-N
MW313.37 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 95842808) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID95842808
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1
InChIInChI=1S/C15H19N7O/c16-8-14(23)22-7-1-2-11(10-22)12-3-4-19-15(20-12)21-13-9-17-5-6-18-13/h3-6,9,11H,1-2,7-8,10,16H2,(H,18,19,20,21)/t11-/m0/s1
InChIKeyBCQDGCGAPCYINB-NSHDSACASA-N
XLogP0.67
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(methylamino)-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842844
1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740404
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
3-(4-methoxyphenyl)-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125015542
phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110094434
2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol
CID 110094417
1-[(3S)-3-[5-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822423
2-(methylamino)-1-[(3R)-3-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124950261
2-amino-1-[4-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 171687270
2-(dimethylamino)-1-[3-[6-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110094063
1-[3-[2-(4-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 53140052
2-phenoxy-1-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 127252112

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 95842808) is 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is NCC(=O)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1.
What is the InChIKey of 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is BCQDGCGAPCYINB-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N7O/c16-8-14(23)22-7-1-2-11(10-22)12-3-4-19-15(20-12)21-13-9-17-5-6-18-13/h3-6,9,11H,1-2,7-8,10,16H2,(H,18,19,20,21)/t11-/m0/s1.
What are the key properties of 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 313.37 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95842808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).