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

C12H16N4O — CID 78974618

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCc2c(C)noc2C)nc(C)n1
InChIInChI=1S/C12H16N4O/c1-7-5-12(15-10(4)14-7)13-6-11-8(2)16-17-9(11)3/h5H,6H2,1-4H3,(H,13,14,15)
InChIKeyWOHFYAAHQRVTCE-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.31
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 78974618) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID78974618
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCc2c(C)noc2C)nc(C)n1
InChIInChI=1S/C12H16N4O/c1-7-5-12(15-10(4)14-7)13-6-11-8(2)16-17-9(11)3/h5H,6H2,1-4H3,(H,13,14,15)
InChIKeyWOHFYAAHQRVTCE-UHFFFAOYSA-N
XLogP2.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyridazin-3-amine
CID 79242277
6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 79238103
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluoropyrimidin-4-amine
CID 115417159
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-ethoxy-6-methylpyrimidin-2-amine
CID 112638161
2,6-dimethyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106419057
2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403332
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 79242359
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine
CID 47983697
4,6-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 79237881
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methylaniline
CID 104937892
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline
CID 28780736

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine (CID 78974618) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCc2c(C)noc2C)nc(C)n1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is WOHFYAAHQRVTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7-5-12(15-10(4)14-7)13-6-11-8(2)16-17-9(11)3/h5H,6H2,1-4H3,(H,13,14,15).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 78974618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).