2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C17H17N3 — CID 136710492

IUPAC2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1cn2c(n1)NC(c1cccc3ccccc13)CC2
InChIInChI=1S/C17H17N3/c1-12-11-20-10-9-16(19-17(20)18-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11,16H,9-10H2,1H3,(H,18,19)
InChIKeyCCSHHTRPPTVGPX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.90
Rot. Bonds1

About 2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710492) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710492
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1cn2c(n1)NC(c1cccc3ccccc13)CC2
InChIInChI=1S/C17H17N3/c1-12-11-20-10-9-16(19-17(20)18-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11,16H,9-10H2,1H3,(H,18,19)
InChIKeyCCSHHTRPPTVGPX-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710492) is 2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is Cc1cn2c(n1)NC(c1cccc3ccccc13)CC2.
What is the InChIKey of 2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is CCSHHTRPPTVGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-11-20-10-9-16(19-17(20)18-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,11,16H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 263.34 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-naphthalen-1-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).