2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine

C14H17N3O — CID 66635090

IUPAC2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine
SMILESCOc1ncc(-c2ccc(C(C)CN)cc2)cn1
InChIInChI=1S/C14H17N3O/c1-10(7-15)11-3-5-12(6-4-11)13-8-16-14(18-2)17-9-13/h3-6,8-10H,7,15H2,1-2H3
InChIKeyZLKDBPYHSJSGDW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.21
Rot. Bonds4

About 2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine

2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine (PubChem CID 66635090) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine
PubChem CID66635090
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine
SMILESCOc1ncc(-c2ccc(C(C)CN)cc2)cn1
InChIInChI=1S/C14H17N3O/c1-10(7-15)11-3-5-12(6-4-11)13-8-16-14(18-2)17-9-13/h3-6,8-10H,7,15H2,1-2H3
InChIKeyZLKDBPYHSJSGDW-UHFFFAOYSA-N
XLogP2.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
2,4-Diamino-5-benzylpyrimidine
CID 81752
2,5-Diphenylpyrimidine
CID 755305
2-(4-isobutylphenyl)-N-(2-pyrimidinyl)propanamide
CID 4462928
4-Pyrimidin-2-ylbenzylamine
CID 24229559
5-Phenylpyrimidin-4-amine
CID 233337
5-Phenylpyrimidin-2-amine
CID 12343511
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
5-bromo-N-(4-isopropylbenzyl)pyrimidin-2-amine
CID 23602262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine?
The IUPAC name of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine (CID 66635090) is 2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine?
The canonical SMILES for 2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine is COc1ncc(-c2ccc(C(C)CN)cc2)cn1.
What is the InChIKey of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine?
The InChIKey is ZLKDBPYHSJSGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(7-15)11-3-5-12(6-4-11)13-8-16-14(18-2)17-9-13/h3-6,8-10H,7,15H2,1-2H3.
What are the key properties of 2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine?
2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine is sourced from PubChem (CID 66635090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).