2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine

C20H21N3 — CID 56691173

IUPAC2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine
SMILESCC1CCN(c2nccc(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H21N3/c1-15-10-13-23(14-11-15)20-21-12-9-19(22-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-9,12,15H,10-11,13-14H2,1H3
InChIKeyMUYIFKXUEVXSPQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.53
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine

2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine (PubChem CID 56691173) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine
PubChem CID56691173
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine
SMILESCC1CCN(c2nccc(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H21N3/c1-15-10-13-23(14-11-15)20-21-12-9-19(22-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-9,12,15H,10-11,13-14H2,1H3
InChIKeyMUYIFKXUEVXSPQ-UHFFFAOYSA-N
XLogP4.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Azd-3839
CID 46202416
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CID 18923
(NE)-N-[(7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydro-6H-quinazolin-5-ylidene]hydroxylamine
CID 46937132
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
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4-(4-Phenylphenyl)pyrimidine
CID 817541
(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 46205968
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
6-o-Tolylquinazolin-2-amine
CID 16086113
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
2-m-Tolyl-1,8-naphthyridine
CID 44434718
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine
CID 46206292

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine (CID 56691173) is 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine is CC1CCN(c2nccc(-c3cccc4ccccc34)n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine?
The InChIKey is MUYIFKXUEVXSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-10-13-23(14-11-15)20-21-12-9-19(22-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-9,12,15H,10-11,13-14H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine?
2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine has a molecular weight of 303.41 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 56691173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).