N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide

C9H12N4O2 — CID 141173147

IUPACN-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide
SMILESO=CNc1cnc(N2CCC(O)C2)nc1
InChIInChI=1S/C9H12N4O2/c14-6-12-7-3-10-9(11-4-7)13-2-1-8(15)5-13/h3-4,6,8,15H,1-2,5H2,(H,12,14)
InChIKeyMVCODQNAPXSZEV-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.38
Rot. Bonds3

About N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide

N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide (PubChem CID 141173147) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide
PubChem CID141173147
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide
SMILESO=CNc1cnc(N2CCC(O)C2)nc1
InChIInChI=1S/C9H12N4O2/c14-6-12-7-3-10-9(11-4-7)13-2-1-8(15)5-13/h3-4,6,8,15H,1-2,5H2,(H,12,14)
InChIKeyMVCODQNAPXSZEV-UHFFFAOYSA-N
XLogP-0.38
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide?
The IUPAC name of N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide (CID 141173147) is N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide?
The canonical SMILES for N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide is O=CNc1cnc(N2CCC(O)C2)nc1.
What is the InChIKey of N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide?
The InChIKey is MVCODQNAPXSZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-6-12-7-3-10-9(11-4-7)13-2-1-8(15)5-13/h3-4,6,8,15H,1-2,5H2,(H,12,14).
What are the key properties of N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide?
N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide has a molecular weight of 208.22 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypyrrolidin-1-yl)pyrimidin-5-yl]formamide is sourced from PubChem (CID 141173147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).