2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine

C14H17N3O — CID 62191848

IUPAC2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C14H17N3O/c1-3-9-15-13-8-10-16-14(17-13)11-4-6-12(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyJMXLWQBYEGYIKA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine

2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine (PubChem CID 62191848) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
PubChem CID62191848
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C14H17N3O/c1-3-9-15-13-8-10-16-14(17-13)11-4-6-12(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyJMXLWQBYEGYIKA-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 117084765
N-[2-(4-methoxyphenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117086841
2-naphthalen-2-yl-N-propylpyrimidin-4-amine
CID 62202615
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62747200
4-[4-[2-(4-methoxyphenyl)ethylamino]pyrimidin-2-yl]benzamide
CID 117094557
2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 114330961
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine
CID 62202434
5-methoxy-N-propylpyridin-2-amine
CID 106503925
2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 62203835
2-(1-ethylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 103570486
2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881863

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine (CID 62191848) is 2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is JMXLWQBYEGYIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-9-15-13-8-10-16-14(17-13)11-4-6-12(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine?
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62191848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).