2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide

C15H19N7O — CID 95821179

IUPAC2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H](c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C15H19N7O/c16-13(23)10-22-6-1-3-11(9-22)12-7-17-8-14(20-12)21-15-18-4-2-5-19-15/h2,4-5,7-8,11H,1,3,6,9-10H2,(H2,16,23)(H,18,19,20,21)/t11-/m0/s1
InChIKeyBMPHKGZXQHBVKD-NSHDSACASA-N
MW313.37 g/mol
LogP0.67
Rot. Bonds5

About 2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide

2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide (PubChem CID 95821179) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
PubChem CID95821179
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H](c2cncc(Nc3ncccn3)n2)C1
InChIInChI=1S/C15H19N7O/c16-13(23)10-22-6-1-3-11(9-22)12-7-17-8-14(20-12)21-15-18-4-2-5-19-15/h2,4-5,7-8,11H,1,3,6,9-10H2,(H2,16,23)(H,18,19,20,21)/t11-/m0/s1
InChIKeyBMPHKGZXQHBVKD-NSHDSACASA-N
XLogP0.67
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
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

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Related Compounds

(4-Cyclopentylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone
CID 165415376
(4-Cyclohexylpiperazin-1-yl)-[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl]methanone
CID 165415377
1-[4-[2-(Pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95815234
1-[4-[[6-(Pyrimidin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95822385
3-(1-propan-2-ylpiperidin-4-yl)-N-pyrimidin-2-ylpyrazin-2-amine
CID 95823671
N-pyrimidin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine
CID 110252912
2-Imidazol-1-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazine
CID 110253585
2-methyl-6-(1-propan-2-ylpiperidin-3-yl)-N-pyrazin-2-ylpyrimidin-4-amine
CID 110255577
2-Amino-1-[3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255880
2-[3-[6-(Pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110255913
6-(1-pyrazin-2-ylpiperidin-3-yl)-N-pyrimidin-2-ylpyrazin-2-amine
CID 110255927
4,6-dimethyl-N-[3-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 110256178

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide (CID 95821179) is 2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCC[C@H](c2cncc(Nc3ncccn3)n2)C1.
What is the InChIKey of 2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide?
The InChIKey is BMPHKGZXQHBVKD-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N7O/c16-13(23)10-22-6-1-3-11(9-22)12-7-17-8-14(20-12)21-15-18-4-2-5-19-15/h2,4-5,7-8,11H,1,3,6,9-10H2,(H2,16,23)(H,18,19,20,21)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide?
2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide has a molecular weight of 313.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95821179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).