4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine

C16H15N3 — CID 723505

IUPAC4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C16H15N3/c1-11-10-12(2)18-16(17-11)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyZMLYTRIRFMMEHB-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.99
Rot. Bonds2

About 4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine

4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine (PubChem CID 723505) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine
PubChem CID723505
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C16H15N3/c1-11-10-12(2)18-16(17-11)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,1-2H3,(H,17,18,19)
InChIKeyZMLYTRIRFMMEHB-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Diphenylpyrimidin-2-amine
CID 619024
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
2,4,6-Triaminoquinazoline
CID 292661
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
4-Methyl-2-quinazolinamine
CID 269325
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide
CID 448610
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine (CID 723505) is 4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine is Cc1cc(C)nc(Nc2cccc3ccccc23)n1.
What is the InChIKey of 4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine?
The InChIKey is ZMLYTRIRFMMEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-10-12(2)18-16(17-11)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of 4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine?
4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-naphthalen-1-ylpyrimidin-2-amine is sourced from PubChem (CID 723505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).