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

C12H16N4O2 — CID 79241724

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCc2c(C)noc2C)c1C
InChIInChI=1S/C12H16N4O2/c1-7-11(14-6-15-12(7)17-4)13-5-10-8(2)16-18-9(10)3/h6H,5H2,1-4H3,(H,13,14,15)
InChIKeyZTTZYNMRSIIKTB-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.01
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 79241724) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID79241724
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCc2c(C)noc2C)c1C
InChIInChI=1S/C12H16N4O2/c1-7-11(14-6-15-12(7)17-4)13-5-10-8(2)16-18-9(10)3/h6H,5H2,1-4H3,(H,13,14,15)
InChIKeyZTTZYNMRSIIKTB-UHFFFAOYSA-N
XLogP2.01
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80848891
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 47077228
6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66327251
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
N-(1H-imidazol-2-ylmethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327904
6-methoxy-5-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 114127983
6-methoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325637
6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 79238315
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
CID 106539045
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-pyrazin-2-one
CID 115657215

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine (CID 79241724) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine is COc1ncnc(NCc2c(C)noc2C)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is ZTTZYNMRSIIKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-11(14-6-15-12(7)17-4)13-5-10-8(2)16-18-9(10)3/h6H,5H2,1-4H3,(H,13,14,15).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79241724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).