6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine

C23H25N3O — CID 127037313

IUPAC6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCOCc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1
InChIInChI=1S/C23H25N3O/c1-16-24-22(19-10-5-7-17(13-19)15-27-2)14-23(25-16)26-21-12-6-9-18-8-3-4-11-20(18)21/h3-5,7-8,10-11,13-14,21H,6,9,12,15H2,1-2H3,(H,24,25,26)/t21-/m1/s1
InChIKeyWEVPTBSPKBILIS-OAQYLSRUSA-N
MW359.47 g/mol
LogP5.09
Rot. Bonds5

About 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine

6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (PubChem CID 127037313) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
PubChem CID127037313
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCOCc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1
InChIInChI=1S/C23H25N3O/c1-16-24-22(19-10-5-7-17(13-19)15-27-2)14-23(25-16)26-21-12-6-9-18-8-3-4-11-20(18)21/h3-5,7-8,10-11,13-14,21H,6,9,12,15H2,1-2H3,(H,24,25,26)/t21-/m1/s1
InChIKeyWEVPTBSPKBILIS-OAQYLSRUSA-N
XLogP5.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-[(Benzyloxy)methyl]-5-{4-[(2,2-dimethylpropyl)amino]phenyl}pyrimidine-2,4-diamine
CID 11176805
5-[4-(Benzylamino)phenyl]-6-[(benzyloxy)methyl]pyrimidine-2,4-diamine
CID 11281346
4-(1h,3h-Benzo[de]isochromen-6-Yl)-6-Methylpyrimidin-2-Amine
CID 21846414
(16E)-14-methyl-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 56946378
6-[[3,4,5-tris(methoxymethyl)-N-methylanilino]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 44388478
2-methyl-6-(3-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127035360
6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127036117
6-(3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 78076620
6-(2-fluoro-5-methoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024432
[3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol
CID 127024434
6-(3-ethoxyphenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024673
2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 127034671

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (CID 127037313) is 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is COCc1cccc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)c1.
What is the InChIKey of 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The InChIKey is WEVPTBSPKBILIS-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-24-22(19-10-5-7-17(13-19)15-27-2)14-23(25-16)26-21-12-6-9-18-8-3-4-11-20(18)21/h3-5,7-8,10-11,13-14,21H,6,9,12,15H2,1-2H3,(H,24,25,26)/t21-/m1/s1.
What are the key properties of 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine has a molecular weight of 359.47 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 127037313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).