(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid

C9H12N4O2 — CID 66765635

IUPAC(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
SMILESO=C(O)NC1CCN(c2ccncn2)C1
InChIInChI=1S/C9H12N4O2/c14-9(15)12-7-2-4-13(5-7)8-1-3-10-6-11-8/h1,3,6-7,12H,2,4-5H2,(H,14,15)
InChIKeyKYBYUSGEBJXBNA-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.32
Rot. Bonds2

About (1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid

(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid (PubChem CID 66765635) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
PubChem CID66765635
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
SMILESO=C(O)NC1CCN(c2ccncn2)C1
InChIInChI=1S/C9H12N4O2/c14-9(15)12-7-2-4-13(5-7)8-1-3-10-6-11-8/h1,3,6-7,12H,2,4-5H2,(H,14,15)
InChIKeyKYBYUSGEBJXBNA-UHFFFAOYSA-N
XLogP0.32
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
[1-(4-cyano-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 142318568
[1-(2-amino-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135335154
4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
CID 163491311
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
CID 70982126
N-ethyl-1-pyrimidin-4-ylpiperidin-3-amine
CID 78945406
[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamic acid
CID 135345504
[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 69046948
(1-pyrimidin-4-ylpiperidin-4-yl) carbamate
CID 118050075
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175649015
N-cyclopropyl-3-fluoro-1-pyrimidin-4-ylpyrrolidine-3-carboxamide
CID 171337700

Frequently Asked Questions

What is the IUPAC name of (1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid?
The IUPAC name of (1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid (CID 66765635) is (1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid.
What is the SMILES notation for (1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid?
The canonical SMILES for (1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid is O=C(O)NC1CCN(c2ccncn2)C1.
What is the InChIKey of (1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid?
The InChIKey is KYBYUSGEBJXBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-9(15)12-7-2-4-13(5-7)8-1-3-10-6-11-8/h1,3,6-7,12H,2,4-5H2,(H,14,15).
What are the key properties of (1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid?
(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid has a molecular weight of 208.22 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid is sourced from PubChem (CID 66765635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).