6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

C9H9FN4O — CID 106375471

IUPAC6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(F)ncn2)o1
InChIInChI=1S/C9H9FN4O/c1-6-3-12-9(15-6)4-11-8-2-7(10)13-5-14-8/h2-3,5H,4H2,1H3,(H,11,13,14)
InChIKeyDCUOQJOQVMEWHG-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.52
Rot. Bonds3

About 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine

6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 106375471) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID106375471
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(F)ncn2)o1
InChIInChI=1S/C9H9FN4O/c1-6-3-12-9(15-6)4-11-8-2-7(10)13-5-14-8/h2-3,5H,4H2,1H3,(H,11,13,14)
InChIKeyDCUOQJOQVMEWHG-UHFFFAOYSA-N
XLogP1.52
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 86797758
1-[(5-Ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea
CID 126831085
2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 164631259
2-(5-Fluoropyrimidin-2-yl)-1,3-oxazole
CID 178599161
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103718664
5-fluoro-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736690
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine
CID 103826072
5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine
CID 103826185
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946675
5-fluoro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946693
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 106375471) is 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is Cc1cnc(CNc2cc(F)ncn2)o1.
What is the InChIKey of 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is DCUOQJOQVMEWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-6-3-12-9(15-6)4-11-8-2-7(10)13-5-14-8/h2-3,5H,4H2,1H3,(H,11,13,14).
What are the key properties of 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 208.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106375471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).