2-naphthalen-1-yl-5-propan-2-ylpyrimidine

C17H16N2 — CID 176640404

IUPAC2-naphthalen-1-yl-5-propan-2-ylpyrimidine
SMILESCC(C)c1cnc(-c2cccc3ccccc23)nc1
InChIInChI=1S/C17H16N2/c1-12(2)14-10-18-17(19-11-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3
InChIKeyPYCMVYQIGSPEHB-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.42
Rot. Bonds2

About 2-naphthalen-1-yl-5-propan-2-ylpyrimidine

2-naphthalen-1-yl-5-propan-2-ylpyrimidine (PubChem CID 176640404) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-propan-2-ylpyrimidine
PubChem CID176640404
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2-naphthalen-1-yl-5-propan-2-ylpyrimidine
SMILESCC(C)c1cnc(-c2cccc3ccccc23)nc1
InChIInChI=1S/C17H16N2/c1-12(2)14-10-18-17(19-11-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3
InChIKeyPYCMVYQIGSPEHB-UHFFFAOYSA-N
XLogP4.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-naphthalen-1-yl-5-propan-2-ylpyrazine
CID 58219431
2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 62203179
6-methyl-2-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 62916015
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
2,4-dinaphthalen-1-yl-6-(4-pyrimidin-2-ylphenyl)-1,3,5-triazine
CID 122426450
2-naphthalen-1-yl-5-(4-propan-2-ylphenyl)-1,3,4-thiadiazole
CID 139674328
5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
CID 66293425
4-chloro-5-iodo-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
CID 66292009
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-propan-2-ylpyrimidine?
The IUPAC name of 2-naphthalen-1-yl-5-propan-2-ylpyrimidine (CID 176640404) is 2-naphthalen-1-yl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-naphthalen-1-yl-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-naphthalen-1-yl-5-propan-2-ylpyrimidine is CC(C)c1cnc(-c2cccc3ccccc23)nc1.
What is the InChIKey of 2-naphthalen-1-yl-5-propan-2-ylpyrimidine?
The InChIKey is PYCMVYQIGSPEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-12(2)14-10-18-17(19-11-14)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3.
What are the key properties of 2-naphthalen-1-yl-5-propan-2-ylpyrimidine?
2-naphthalen-1-yl-5-propan-2-ylpyrimidine has a molecular weight of 248.33 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 176640404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).