2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid

C10H13N3O3 — CID 115033816

IUPAC2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCCOC2)nc1
InChIInChI=1S/C10H13N3O3/c14-9(15)7-4-11-10(12-5-7)13-8-2-1-3-16-6-8/h4-5,8H,1-3,6H2,(H,14,15)(H,11,12,13)
InChIKeyXBAUMPQATKQNOO-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.77
Rot. Bonds3

About 2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid

2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 115033816) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
PubChem CID115033816
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCCOC2)nc1
InChIInChI=1S/C10H13N3O3/c14-9(15)7-4-11-10(12-5-7)13-8-2-1-3-16-6-8/h4-5,8H,1-3,6H2,(H,14,15)(H,11,12,13)
InChIKeyXBAUMPQATKQNOO-UHFFFAOYSA-N
XLogP0.77
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
CID 127015469
2-(thian-4-ylamino)pyrimidine-5-carboxylic acid
CID 115043104
2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 130550908
4-cyclobutyl-2-(oxolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 67087192
3-bromo-4-(oxan-3-ylamino)benzoic acid
CID 82801534
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 167971128
2-(oxan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 113380266
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
oxan-3-ylcarbamic acid
CID 68631624
4-[[(1R)-1-cyclopropylethyl]amino]-2-(oxan-3-ylamino)pyrimidine-5-carboxamide
CID 71237990

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid (CID 115033816) is 2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(NC2CCCOC2)nc1.
What is the InChIKey of 2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is XBAUMPQATKQNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9(15)7-4-11-10(12-5-7)13-8-2-1-3-16-6-8/h4-5,8H,1-3,6H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid?
2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115033816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).