6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine

C13H23N3O — CID 66325620

IUPAC6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
SMILESCCOc1ncnc(NC(C)C(C)CC)c1C
InChIInChI=1S/C13H23N3O/c1-6-9(3)11(5)16-12-10(4)13(17-7-2)15-8-14-12/h8-9,11H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyRDDFDVVMRRAHNW-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.03
Rot. Bonds6

About 6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine (PubChem CID 66325620) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
PubChem CID66325620
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine
SMILESCCOc1ncnc(NC(C)C(C)CC)c1C
InChIInChI=1S/C13H23N3O/c1-6-9(3)11(5)16-12-10(4)13(17-7-2)15-8-14-12/h8-9,11H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyRDDFDVVMRRAHNW-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 113457874
N-(1-chlorobutan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327004
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 66324830
N-(1-chloro-4-methylpentan-2-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327825
1-N-(6-ethoxy-5-methylpyrimidin-4-yl)propane-1,2-diamine
CID 66326356
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146
6-ethoxy-N-[1-(furan-2-yl)ethyl]-5-methylpyrimidin-4-amine
CID 66327459
6-ethoxy-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylpyrimidin-4-amine
CID 66325636
6-ethoxy-5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 66327692
N-(2-chloro-1-phenylethyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327620
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine (CID 66325620) is 6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine is CCOc1ncnc(NC(C)C(C)CC)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is RDDFDVVMRRAHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-9(3)11(5)16-12-10(4)13(17-7-2)15-8-14-12/h8-9,11H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(3-methylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66325620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).