ethane;2-ethyl-4-methylpyrimidin-5-amine

C11H23N3 — CID 142845626

IUPACethane;2-ethyl-4-methylpyrimidin-5-amine
SMILESCC.CC.CCc1ncc(N)c(C)n1
InChIInChI=1S/C7H11N3.2C2H6/c1-3-7-9-4-6(8)5(2)10-7;2*1-2/h4H,3,8H2,1-2H3;2*1-2H3
InChIKeyACZJJWQTWJUICD-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.98
Rot. Bonds1

About ethane;2-ethyl-4-methylpyrimidin-5-amine

ethane;2-ethyl-4-methylpyrimidin-5-amine (PubChem CID 142845626) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is ethane;2-ethyl-4-methylpyrimidin-5-amine.

Molecular Properties

Compound Nameethane;2-ethyl-4-methylpyrimidin-5-amine
PubChem CID142845626
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Nameethane;2-ethyl-4-methylpyrimidin-5-amine
SMILESCC.CC.CCc1ncc(N)c(C)n1
InChIInChI=1S/C7H11N3.2C2H6/c1-3-7-9-4-6(8)5(2)10-7;2*1-2/h4H,3,8H2,1-2H3;2*1-2H3
InChIKeyACZJJWQTWJUICD-UHFFFAOYSA-N
XLogP2.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(fluoromethyl)-4-methylpyrimidin-5-amine
CID 105428194
4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine
CID 84663024
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
4-(3-chlorophenyl)-2-ethylpyrimidin-5-amine
CID 82374863
2,4-diethyl-5-methylpyrimidine
CID 59174285
5-ethyl-6-methylpyridine-3,4-diamine
CID 157217081
5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride
CID 133062849
5-(chloromethyl)-2-ethylpyrimidin-4-amine
CID 118060527
2-(1-ethoxyethyl)-4-methylpyrimidin-5-amine
CID 130483651
6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 122696581
2-ethyl-5-(2-methylphenyl)pyrimidin-4-amine
CID 62900182
2-ethyl-5-phenylpyrimidin-4-amine
CID 62900948

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-methylpyrimidin-5-amine?
The IUPAC name of ethane;2-ethyl-4-methylpyrimidin-5-amine (CID 142845626) is ethane;2-ethyl-4-methylpyrimidin-5-amine.
What is the SMILES notation for ethane;2-ethyl-4-methylpyrimidin-5-amine?
The canonical SMILES for ethane;2-ethyl-4-methylpyrimidin-5-amine is CC.CC.CCc1ncc(N)c(C)n1.
What is the InChIKey of ethane;2-ethyl-4-methylpyrimidin-5-amine?
The InChIKey is ACZJJWQTWJUICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2C2H6/c1-3-7-9-4-6(8)5(2)10-7;2*1-2/h4H,3,8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-4-methylpyrimidin-5-amine?
ethane;2-ethyl-4-methylpyrimidin-5-amine has a molecular weight of 197.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-methylpyrimidin-5-amine is sourced from PubChem (CID 142845626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).