(2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine

C15H19N3O — CID 115530462

IUPAC(2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine
SMILESCc1nccc(C(N)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C15H19N3O/c1-10(2)19-13-6-4-12(5-7-13)15(16)14-8-9-17-11(3)18-14/h4-10,15H,16H2,1-3H3
InChIKeyBTGCJJSNOQUXMJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.62
Rot. Bonds4

About (2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine

(2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 115530462) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine
PubChem CID115530462
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine
SMILESCc1nccc(C(N)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C15H19N3O/c1-10(2)19-13-6-4-12(5-7-13)15(16)14-8-9-17-11(3)18-14/h4-10,15H,16H2,1-3H3
InChIKeyBTGCJJSNOQUXMJ-UHFFFAOYSA-N
XLogP2.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-yloxyphenyl)-pyrimidin-4-ylmethanamine
CID 63990391
4-[1-(4-chlorophenoxy)ethyl]-2-methylpyrimidine
CID 129051029
(3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530269
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395
(4-propan-2-yloxyphenyl)-pyridazin-4-ylmethanamine
CID 105144672
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
CID 115530049
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
(2-methylpyrimidin-4-yl)-quinolin-3-ylmethanamine
CID 115530428
1,2,4-oxadiazol-3-yl-(4-propan-2-yloxyphenyl)methanamine
CID 54932919
(4-ethylphenyl)-(4-propan-2-yloxyphenyl)methanamine
CID 43120931
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine (CID 115530462) is (2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine is Cc1nccc(C(N)c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is BTGCJJSNOQUXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)19-13-6-4-12(5-7-13)15(16)14-8-9-17-11(3)18-14/h4-10,15H,16H2,1-3H3.
What are the key properties of (2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine?
(2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 115530462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).