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

C10H10ClFN4O — CID 106375578

IUPAC2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESCc1nc(CNc2nc(Cl)ncc2F)oc1C
InChIInChI=1S/C10H10ClFN4O/c1-5-6(2)17-8(15-5)4-13-9-7(12)3-14-10(11)16-9/h3H,4H2,1-2H3,(H,13,14,16)
InChIKeyYFCKNBJGNWNACN-UHFFFAOYSA-N
MW256.67 g/mol
LogP2.49
Rot. Bonds3

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

2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine (PubChem CID 106375578) has the molecular formula C10H10ClFN4O and a molecular weight of 256.67 g/mol. Its IUPAC name is 2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
PubChem CID106375578
Molecular FormulaC10H10ClFN4O
Molecular Weight256.67 g/mol
Exact Mass256.05
IUPAC Name2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESCc1nc(CNc2nc(Cl)ncc2F)oc1C
InChIInChI=1S/C10H10ClFN4O/c1-5-6(2)17-8(15-5)4-13-9-7(12)3-14-10(11)16-9/h3H,4H2,1-2H3,(H,13,14,16)
InChIKeyYFCKNBJGNWNACN-UHFFFAOYSA-N
XLogP2.49
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 52.49
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
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
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
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106375379
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375429
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 2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine (CID 106375578) is 2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine is Cc1nc(CNc2nc(Cl)ncc2F)oc1C.
What is the InChIKey of 2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The InChIKey is YFCKNBJGNWNACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O/c1-5-6(2)17-8(15-5)4-13-9-7(12)3-14-10(11)16-9/h3H,4H2,1-2H3,(H,13,14,16).
What are the key properties of 2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine?
2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine has a molecular weight of 256.67 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 106375578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).