2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone

C10H17N5O — CID 154380327

IUPAC2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone
SMILESNC1=NC(N)(CC(=O)N2CCCC2)NC=C1
InChIInChI=1S/C10H17N5O/c11-8-3-4-13-10(12,14-8)7-9(16)15-5-1-2-6-15/h3-4,13H,1-2,5-7,12H2,(H2,11,14)
InChIKeyUNEJVHGTVSCYEB-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.91
Rot. Bonds2

About 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone

2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 154380327) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone
PubChem CID154380327
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone
SMILESNC1=NC(N)(CC(=O)N2CCCC2)NC=C1
InChIInChI=1S/C10H17N5O/c11-8-3-4-13-10(12,14-8)7-9(16)15-5-1-2-6-15/h3-4,13H,1-2,5-7,12H2,(H2,11,14)
InChIKeyUNEJVHGTVSCYEB-UHFFFAOYSA-N
XLogP-0.91
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(1,2-dimethylpyrimidin-4-ylidene)amino]propyl]acetamide
CID 123566933
2-(2,4-diamino-1H-pyrimidin-2-yl)-1-piperidin-1-ylethanone
CID 154281840
2-methyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
CID 136957123

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone (CID 154380327) is 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone is NC1=NC(N)(CC(=O)N2CCCC2)NC=C1.
What is the InChIKey of 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is UNEJVHGTVSCYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-8-3-4-13-10(12,14-8)7-9(16)15-5-1-2-6-15/h3-4,13H,1-2,5-7,12H2,(H2,11,14).
What are the key properties of 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone?
2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 223.28 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diamino-1H-pyrimidin-2-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 154380327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).