4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine

C18H25N3O — CID 146212414

IUPAC4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine
SMILESCCCC(CC)Cc1ccc(COc2ccnc(N)n2)cc1
InChIInChI=1S/C18H25N3O/c1-3-5-14(4-2)12-15-6-8-16(9-7-15)13-22-17-10-11-20-18(19)21-17/h6-11,14H,3-5,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyZNGJNEQJUMUAMU-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.01
Rot. Bonds8

About 4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine

4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine (PubChem CID 146212414) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine
PubChem CID146212414
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine
SMILESCCCC(CC)Cc1ccc(COc2ccnc(N)n2)cc1
InChIInChI=1S/C18H25N3O/c1-3-5-14(4-2)12-15-6-8-16(9-7-15)13-22-17-10-11-20-18(19)21-17/h6-11,14H,3-5,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyZNGJNEQJUMUAMU-UHFFFAOYSA-N
XLogP4.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine?
The IUPAC name of 4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine (CID 146212414) is 4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine?
The canonical SMILES for 4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine is CCCC(CC)Cc1ccc(COc2ccnc(N)n2)cc1.
What is the InChIKey of 4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine?
The InChIKey is ZNGJNEQJUMUAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-3-5-14(4-2)12-15-6-8-16(9-7-15)13-22-17-10-11-20-18(19)21-17/h6-11,14H,3-5,12-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine?
4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine has a molecular weight of 299.42 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine is sourced from PubChem (CID 146212414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).