4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine

C13H22N4O — CID 106996136

IUPAC4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NC2CCNC(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-18-12-8-10(3)15-13(17-12)16-11-5-6-14-9(2)7-11/h8-9,11,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeySCPFMBGZLOPEJJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.74
Rot. Bonds4

About 4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine

4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 106996136) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID106996136
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NC2CCNC(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-4-18-12-8-10(3)15-13(17-12)16-11-5-6-14-9(2)7-11/h8-9,11,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeySCPFMBGZLOPEJJ-UHFFFAOYSA-N
XLogP1.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
1-N-(4-ethoxy-6-methylpyrimidin-2-yl)cyclopropane-1,2-diamine
CID 112634745
4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine
CID 112637959
N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 115975126
4-ethoxy-N-(2-ethylcyclohexyl)-6-methylpyrimidin-2-amine
CID 112637169
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 112637279
4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 112634792
4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482
5-bromo-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine
CID 106996112
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112753377
4,6-dimethyl-N-(3-methylcyclohexyl)pyrimidin-2-amine
CID 43428255

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine (CID 106996136) is 4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine is CCOc1cc(C)nc(NC2CCNC(C)C2)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is SCPFMBGZLOPEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-18-12-8-10(3)15-13(17-12)16-11-5-6-14-9(2)7-11/h8-9,11,14H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine?
4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-(2-methylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 106996136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).