N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine

C11H13N5O — CID 114273065

IUPACN-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine
SMILESCCNc1ncc(-c2nccnc2OC)cn1
InChIInChI=1S/C11H13N5O/c1-3-12-11-15-6-8(7-16-11)9-10(17-2)14-5-4-13-9/h4-7H,3H2,1-2H3,(H,12,15,16)
InChIKeyXYAHCXAEMKQAII-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.37
Rot. Bonds4

About N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine

N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine (PubChem CID 114273065) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine
PubChem CID114273065
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine
SMILESCCNc1ncc(-c2nccnc2OC)cn1
InChIInChI=1S/C11H13N5O/c1-3-12-11-15-6-8(7-16-11)9-10(17-2)14-5-4-13-9/h4-7H,3H2,1-2H3,(H,12,15,16)
InChIKeyXYAHCXAEMKQAII-UHFFFAOYSA-N
XLogP1.37
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086
4-(3-methoxypyrazin-2-yl)-2-methylaniline
CID 104516164
N-(2,2-difluoroethyl)-5-(3-methoxy-2-pyridinyl)pyrimidin-2-amine
CID 163343585
2-(ethylamino)pyrimidine-5-carbaldehyde
CID 11400865
4-(3-methoxypyrazin-2-yl)benzoic acid
CID 67257988
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
6-(3-methoxypyrazin-2-yl)-N,4,5-trimethylpyridazin-3-amine
CID 104516646
5-bromo-4-(2,5-dibromo-4-methoxyphenoxy)-N-ethylpyrimidin-2-amine
CID 80881149
5-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 70214724
ethane;2-(ethylamino)pyrimidine-5-carbonitrile
CID 142425715

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine (CID 114273065) is N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine is CCNc1ncc(-c2nccnc2OC)cn1.
What is the InChIKey of N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine?
The InChIKey is XYAHCXAEMKQAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-3-12-11-15-6-8(7-16-11)9-10(17-2)14-5-4-13-9/h4-7H,3H2,1-2H3,(H,12,15,16).
What are the key properties of N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine?
N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine has a molecular weight of 231.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-methoxypyrazin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 114273065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).