2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C14H17N7O — CID 110258416

IUPAC2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC1c1nccnc1Nc1ncccn1
InChIInChI=1S/C14H17N7O/c15-9-11(22)21-8-1-3-10(21)12-13(17-7-6-16-12)20-14-18-4-2-5-19-14/h2,4-7,10H,1,3,8-9,15H2,(H,17,18,19,20)
InChIKeyPWXILCCYNLXMSR-UHFFFAOYSA-N
MW299.34 g/mol
LogP0.63
Rot. Bonds4

About 2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110258416) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID110258416
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC1c1nccnc1Nc1ncccn1
InChIInChI=1S/C14H17N7O/c15-9-11(22)21-8-1-3-10(21)12-13(17-7-6-16-12)20-14-18-4-2-5-19-14/h2,4-7,10H,1,3,8-9,15H2,(H,17,18,19,20)
InChIKeyPWXILCCYNLXMSR-UHFFFAOYSA-N
XLogP0.63
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-((1H-imidazol-4-yl)methyl)-N-(pyrimidin-2-yl)piperidine-1-carboxamide
CID 44408110
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one
CID 53592170
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 53613635
1-(3-Imidazol-1-ylpiperidin-1-yl)-4-(pyrimidin-2-ylamino)butan-1-one
CID 53618214
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-isopropyl-4-piperidinecarboxamide
CID 72854333
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-(1-piperidinyl)butanamide
CID 72857619
1-(cyclopropylcarbonyl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidinecarboxamide
CID 72872965
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72895405
2-(1-ethyl-4-piperidinyl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
CID 72928221
4-Methyl-6-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 73439388
2-(1-Pyrimidin-4-ylpyrrolidin-2-yl)pyrazine
CID 110254320
6-(2-Pyrazin-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 110254331

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 110258416) is 2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is NCC(=O)N1CCCC1c1nccnc1Nc1ncccn1.
What is the InChIKey of 2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is PWXILCCYNLXMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c15-9-11(22)21-8-1-3-10(21)12-13(17-7-6-16-12)20-14-18-4-2-5-19-14/h2,4-7,10H,1,3,8-9,15H2,(H,17,18,19,20).
What are the key properties of 2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 299.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110258416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).