1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C14H16N6O — CID 110267170

IUPAC1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccnc(Nc2cncnc2)n1
InChIInChI=1S/C14H16N6O/c1-10(21)20-6-2-3-13(20)12-4-5-17-14(19-12)18-11-7-15-9-16-8-11/h4-5,7-9,13H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyNGWXZXZCVFMCSI-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.69
Rot. Bonds3

About 1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110267170) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110267170
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1ccnc(Nc2cncnc2)n1
InChIInChI=1S/C14H16N6O/c1-10(21)20-6-2-3-13(20)12-4-5-17-14(19-12)18-11-7-15-9-16-8-11/h4-5,7-9,13H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyNGWXZXZCVFMCSI-UHFFFAOYSA-N
XLogP1.69
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110267170) is 1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1ccnc(Nc2cncnc2)n1.
What is the InChIKey of 1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is NGWXZXZCVFMCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-10(21)20-6-2-3-13(20)12-4-5-17-14(19-12)18-11-7-15-9-16-8-11/h4-5,7-9,13H,2-3,6H2,1H3,(H,17,18,19).
What are the key properties of 1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 284.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110267170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).