4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C8H12N4O — CID 135587489

IUPAC4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(N2CCCC2)n1
InChIInChI=1S/C8H12N4O/c9-6-5-7(13)11-8(10-6)12-3-1-2-4-12/h5H,1-4H2,(H3,9,10,11,13)
InChIKeyPFAFDRCRQHPCNT-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.05
Rot. Bonds1

About 4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135587489) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID135587489
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(N2CCCC2)n1
InChIInChI=1S/C8H12N4O/c9-6-5-7(13)11-8(10-6)12-3-1-2-4-12/h5H,1-4H2,(H3,9,10,11,13)
InChIKeyPFAFDRCRQHPCNT-UHFFFAOYSA-N
XLogP-0.05
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 135587489) is 4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(N2CCCC2)n1.
What is the InChIKey of 4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is PFAFDRCRQHPCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-6-5-7(13)11-8(10-6)12-3-1-2-4-12/h5H,1-4H2,(H3,9,10,11,13).
What are the key properties of 4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135587489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).