2-naphthalen-2-yl-N-propylpyrimidin-4-amine

C17H17N3 — CID 62202615

IUPAC2-naphthalen-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C17H17N3/c1-2-10-18-16-9-11-19-17(20-16)15-8-7-13-5-3-4-6-14(13)12-15/h3-9,11-12H,2,10H2,1H3,(H,18,19,20)
InChIKeyXNEMHSQJOJUAJJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.12
Rot. Bonds4

About 2-naphthalen-2-yl-N-propylpyrimidin-4-amine

2-naphthalen-2-yl-N-propylpyrimidin-4-amine (PubChem CID 62202615) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-propylpyrimidin-4-amine
PubChem CID62202615
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-naphthalen-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C17H17N3/c1-2-10-18-16-9-11-19-17(20-16)15-8-7-13-5-3-4-6-14(13)12-15/h3-9,11-12H,2,10H2,1H3,(H,18,19,20)
InChIKeyXNEMHSQJOJUAJJ-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 46172986
2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 114330961
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
2-(1-ethylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 103570486
(2-naphthalen-2-ylpyrimidin-4-yl)methanamine
CID 62749153
2-(1H-indol-5-yl)-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 117090697
2-(5-methylthiophen-2-yl)-N-propylpyrimidin-4-amine
CID 62203140
2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine
CID 62202434
2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine
CID 62699425
2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 62203835

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-naphthalen-2-yl-N-propylpyrimidin-4-amine (CID 62202615) is 2-naphthalen-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-naphthalen-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-naphthalen-2-yl-N-propylpyrimidin-4-amine is CCCNc1ccnc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-naphthalen-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is XNEMHSQJOJUAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-10-18-16-9-11-19-17(20-16)15-8-7-13-5-3-4-6-14(13)12-15/h3-9,11-12H,2,10H2,1H3,(H,18,19,20).
What are the key properties of 2-naphthalen-2-yl-N-propylpyrimidin-4-amine?
2-naphthalen-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62202615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).