5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine

C11H14FN5O — CID 72939916

IUPAC5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nc(N(C)Cc2ccon2)ncc1F
InChIInChI=1S/C11H14FN5O/c1-16(2)10-9(12)6-13-11(14-10)17(3)7-8-4-5-18-15-8/h4-6H,7H2,1-3H3
InChIKeyXMZZOKRKBLLLBI-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.31
Rot. Bonds4

About 5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine

5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 72939916) has the molecular formula C11H14FN5O and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID72939916
Molecular FormulaC11H14FN5O
Molecular Weight251.27 g/mol
Exact Mass251.12
IUPAC Name5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nc(N(C)Cc2ccon2)ncc1F
InChIInChI=1S/C11H14FN5O/c1-16(2)10-9(12)6-13-11(14-10)17(3)7-8-4-5-18-15-8/h4-6H,7H2,1-3H3
InChIKeyXMZZOKRKBLLLBI-UHFFFAOYSA-N
XLogP1.31
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3,5-Triazinyl)isoxazole
CID 129756092
5-{[(isoxazol-3-ylmethyl)(methyl)amino]methyl}-N-propylpyrimidin-2-amine
CID 77096379
6-ethyl-5-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
CID 121583028
5-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-2-amine
CID 132385676
N-[amino-(5-fluoro-4-methylpyrimidin-2-yl)methylidene]-N'-[(6-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,2-oxazole-3-carboximidamide
CID 166943970
N-(2-pyrimidinyl)-3-isoxazole carboxamide
CID 110693832
2-chloro-5-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-amine
CID 79081663
N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 79492909
5-fluoro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80813481
2-N-ethyl-5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80813484
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80813576
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80814214

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine (CID 72939916) is 5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is CN(C)c1nc(N(C)Cc2ccon2)ncc1F.
What is the InChIKey of 5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is XMZZOKRKBLLLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-16(2)10-9(12)6-13-11(14-10)17(3)7-8-4-5-18-15-8/h4-6H,7H2,1-3H3.
What are the key properties of 5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 251.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 72939916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).