4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine

C29H32N6 — CID 11583520

IUPAC4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCN(C)Cc1cc2c(nc1-c1ccccc1)N(c1ccnc(NCCc3ccccc3)n1)CCC2
InChIInChI=1S/C29H32N6/c1-34(2)21-25-20-24-14-9-19-35(28(24)33-27(25)23-12-7-4-8-13-23)26-16-18-31-29(32-26)30-17-15-22-10-5-3-6-11-22/h3-8,10-13,16,18,20H,9,14-15,17,19,21H2,1-2H3,(H,30,31,32)
InChIKeySXIIYHQAUNUYKQ-UHFFFAOYSA-N
MW464.62 g/mol
LogP5.34
Rot. Bonds8

About 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine

4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 11583520) has the molecular formula C29H32N6 and a molecular weight of 464.62 g/mol. Its IUPAC name is 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID11583520
Molecular FormulaC29H32N6
Molecular Weight464.62 g/mol
Exact Mass464.27
IUPAC Name4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCN(C)Cc1cc2c(nc1-c1ccccc1)N(c1ccnc(NCCc3ccccc3)n1)CCC2
InChIInChI=1S/C29H32N6/c1-34(2)21-25-20-24-14-9-19-35(28(24)33-27(25)23-12-7-4-8-13-23)26-16-18-31-29(32-26)30-17-15-22-10-5-3-6-11-22/h3-8,10-13,16,18,20H,9,14-15,17,19,21H2,1-2H3,(H,30,31,32)
InChIKeySXIIYHQAUNUYKQ-UHFFFAOYSA-N
XLogP5.34
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.62
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Ngd-8243
CID 11247522
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Importazole
CID 2949965
Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine (CID 11583520) is 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine is CN(C)Cc1cc2c(nc1-c1ccccc1)N(c1ccnc(NCCc3ccccc3)n1)CCC2.
What is the InChIKey of 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is SXIIYHQAUNUYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6/c1-34(2)21-25-20-24-14-9-19-35(28(24)33-27(25)23-12-7-4-8-13-23)26-16-18-31-29(32-26)30-17-15-22-10-5-3-6-11-22/h3-8,10-13,16,18,20H,9,14-15,17,19,21H2,1-2H3,(H,30,31,32).
What are the key properties of 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine?
4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 464.62 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(dimethylamino)methyl]-7-phenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 11583520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).