(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine

C21H25N5O — CID 52767438

IUPAC(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCOc1cccc([C@H](CNc2cc(C)nc(-c3ccncc3)n2)N(C)C)c1
InChIInChI=1S/C21H25N5O/c1-15-12-20(25-21(24-15)16-8-10-22-11-9-16)23-14-19(26(2)3)17-6-5-7-18(13-17)27-4/h5-13,19H,14H2,1-4H3,(H,23,24,25)/t19-/m0/s1
InChIKeyFFIWYFFABUXGAY-IBGZPJMESA-N
MW363.47 g/mol
LogP3.57
Rot. Bonds7

About (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine

(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 52767438) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID52767438
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCOc1cccc([C@H](CNc2cc(C)nc(-c3ccncc3)n2)N(C)C)c1
InChIInChI=1S/C21H25N5O/c1-15-12-20(25-21(24-15)16-8-10-22-11-9-16)23-14-19(26(2)3)17-6-5-7-18(13-17)27-4/h5-13,19H,14H2,1-4H3,(H,23,24,25)/t19-/m0/s1
InChIKeyFFIWYFFABUXGAY-IBGZPJMESA-N
XLogP3.57
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethanol
CID 48931327
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(5-methyl-2-pyridinyl)ethane-1,2-diamine
CID 43094028
N'-(6-fluoropyrimidin-4-yl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 115416422
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 117079007
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280523
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
CID 82538540
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 119126449
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 43823561
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea
CID 124569034

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine (CID 52767438) is (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine is COc1cccc([C@H](CNc2cc(C)nc(-c3ccncc3)n2)N(C)C)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is FFIWYFFABUXGAY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-12-20(25-21(24-15)16-8-10-22-11-9-16)23-14-19(26(2)3)17-6-5-7-18(13-17)27-4/h5-13,19H,14H2,1-4H3,(H,23,24,25)/t19-/m0/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine?
(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 363.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 52767438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).