5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine

C9H12FN3O — CID 127015469

IUPAC5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
SMILESFc1cnc(N[C@@H]2CCCOC2)nc1
InChIInChI=1S/C9H12FN3O/c10-7-4-11-9(12-5-7)13-8-2-1-3-14-6-8/h4-5,8H,1-3,6H2,(H,11,12,13)/t8-/m1/s1
InChIKeyOOMANQOTILQPQH-MRVPVSSYSA-N
MW197.21 g/mol
LogP1.21
Rot. Bonds2

About 5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine

5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine (PubChem CID 127015469) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
PubChem CID127015469
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
SMILESFc1cnc(N[C@@H]2CCCOC2)nc1
InChIInChI=1S/C9H12FN3O/c10-7-4-11-9(12-5-7)13-8-2-1-3-14-6-8/h4-5,8H,1-3,6H2,(H,11,12,13)/t8-/m1/s1
InChIKeyOOMANQOTILQPQH-MRVPVSSYSA-N
XLogP1.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
CID 115033816
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112703192
5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine
CID 79727736
4-[(5-fluoropyrimidin-2-yl)amino]oxolan-3-ol
CID 130991603
4-bromo-N-(oxan-3-yl)pyrimidin-2-amine
CID 115048116
N-[(3S)-oxan-3-yl]pyrazin-2-amine
CID 130628778
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine
CID 145168801
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
3-N-(oxan-3-yl)-1H-1,2,4-triazole-3,5-diamine
CID 66274730
N-(4-bromo-2,5-difluorophenyl)oxan-3-amine
CID 107609816

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine (CID 127015469) is 5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine is Fc1cnc(N[C@@H]2CCCOC2)nc1.
What is the InChIKey of 5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine?
The InChIKey is OOMANQOTILQPQH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-7-4-11-9(12-5-7)13-8-2-1-3-14-6-8/h4-5,8H,1-3,6H2,(H,11,12,13)/t8-/m1/s1.
What are the key properties of 5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine?
5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine has a molecular weight of 197.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 127015469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).