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

CID 172434840
CID 172434840
CID 66319018
CID 66319018
CID 22599790
CID 22599790
CID 66326426
CID 66326426
CID 66326659
CID 66326659
CID 66326660
CID 66326660
CID 66326872
CID 66326872
CID 66327860
CID 66327860
CID 80842287
CID 80842287
CID 80858384
CID 80858384
CID 80858385
CID 80858385
CID 80858472
CID 80858472

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).