N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine

C10H11FN4O — CID 103826072

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine
SMILESCc1nc(CNc2ncc(F)cn2)oc1C
InChIInChI=1S/C10H11FN4O/c1-6-7(2)16-9(15-6)5-14-10-12-3-8(11)4-13-10/h3-4H,5H2,1-2H3,(H,12,13,14)
InChIKeyHQWJNIIPSVRFBJ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.83
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine (PubChem CID 103826072) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine
PubChem CID103826072
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine
SMILESCc1nc(CNc2ncc(F)cn2)oc1C
InChIInChI=1S/C10H11FN4O/c1-6-7(2)16-9(15-6)5-14-10-12-3-8(11)4-13-10/h3-4H,5H2,1-2H3,(H,12,13,14)
InChIKeyHQWJNIIPSVRFBJ-UHFFFAOYSA-N
XLogP1.83
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole
CID 170144648
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103623952
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
5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine
CID 103826185
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
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106375379
6-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106375471
2-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106375480
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106375571

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine (CID 103826072) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine is Cc1nc(CNc2ncc(F)cn2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is HQWJNIIPSVRFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-6-7(2)16-9(15-6)5-14-10-12-3-8(11)4-13-10/h3-4H,5H2,1-2H3,(H,12,13,14).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine has a molecular weight of 222.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 103826072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).