1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C16H20N6O — CID 124959791

IUPAC1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](c2nccnc2Nc2ncccn2)C1
InChIInChI=1S/C16H20N6O/c1-2-13(23)22-10-3-5-12(11-22)14-15(18-9-8-17-14)21-16-19-6-4-7-20-16/h4,6-9,12H,2-3,5,10-11H2,1H3,(H,18,19,20,21)/t12-/m0/s1
InChIKeyGPTJEKGYKSYXCO-LBPRGKRZSA-N
MW312.38 g/mol
LogP2.13
Rot. Bonds4

About 1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one

1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 124959791) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID124959791
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](c2nccnc2Nc2ncccn2)C1
InChIInChI=1S/C16H20N6O/c1-2-13(23)22-10-3-5-12(11-22)14-15(18-9-8-17-14)21-16-19-6-4-7-20-16/h4,6-9,12H,2-3,5,10-11H2,1H3,(H,18,19,20,21)/t12-/m0/s1
InChIKeyGPTJEKGYKSYXCO-LBPRGKRZSA-N
XLogP2.13
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822420
1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
1-[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110131823
1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124964605
2-chloro-1-[3-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175656298
3-methyl-1-[(2R)-2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 95844542
3-methyl-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]butan-1-one
CID 110256842
1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844568
1-[(3S)-3-[5-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822423
2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256403
3-methoxy-1-[3-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256857

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 124959791) is 1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H](c2nccnc2Nc2ncccn2)C1.
What is the InChIKey of 1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is GPTJEKGYKSYXCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N6O/c1-2-13(23)22-10-3-5-12(11-22)14-15(18-9-8-17-14)21-16-19-6-4-7-20-16/h4,6-9,12H,2-3,5,10-11H2,1H3,(H,18,19,20,21)/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 312.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124959791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).