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

C13H18N4O2 — CID 133464513

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCCc2c(C)noc2C)ncn1
InChIInChI=1S/C13H18N4O2/c1-4-18-13-7-12(15-8-16-13)14-6-5-11-9(2)17-19-10(11)3/h7-8H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyMDEYGIDOVPLTBJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.13
Rot. Bonds6

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

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine (PubChem CID 133464513) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine
PubChem CID133464513
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCCc2c(C)noc2C)ncn1
InChIInChI=1S/C13H18N4O2/c1-4-18-13-7-12(15-8-16-13)14-6-5-11-9(2)17-19-10(11)3/h7-8H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyMDEYGIDOVPLTBJ-UHFFFAOYSA-N
XLogP2.13
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129330565
6-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 79238103
6-ethoxy-N-[2-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 66328978
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
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
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327797
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 53192874
6-ethoxy-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66330187
ethyl N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamate
CID 110646305

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine (CID 133464513) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine is CCOc1cc(NCCc2c(C)noc2C)ncn1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine?
The InChIKey is MDEYGIDOVPLTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-18-13-7-12(15-8-16-13)14-6-5-11-9(2)17-19-10(11)3/h7-8H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine has a molecular weight of 262.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 133464513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).