4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine

C21H25N5O2 — CID 135188115

IUPAC4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CN(C)Cc2cc(Nc3cccc(OC)c3)nc(N)n2)cc1
InChIInChI=1S/C21H25N5O2/c1-26(13-15-7-9-18(27-2)10-8-15)14-17-12-20(25-21(22)24-17)23-16-5-4-6-19(11-16)28-3/h4-12H,13-14H2,1-3H3,(H3,22,23,24,25)
InChIKeyNVYMOYGYBCKNCI-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.45
Rot. Bonds8

About 4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine

4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine (PubChem CID 135188115) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine
PubChem CID135188115
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CN(C)Cc2cc(Nc3cccc(OC)c3)nc(N)n2)cc1
InChIInChI=1S/C21H25N5O2/c1-26(13-15-7-9-18(27-2)10-8-15)14-17-12-20(25-21(22)24-17)23-16-5-4-6-19(11-16)28-3/h4-12H,13-14H2,1-3H3,(H3,22,23,24,25)
InChIKeyNVYMOYGYBCKNCI-UHFFFAOYSA-N
XLogP3.45
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 135201977
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 142394027
6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8793303
6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 161041251
4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872251
4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine
CID 135201379
N-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]methyl]-N-methylbenzamide;2-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine;2-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine;2-[[benzyl(methyl)amino]methyl]-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine;4-N-(4-methylphenyl)-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrimidine-2,4-diamine;4-N-(4-methylphenyl)-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyrimidine-2,4-diamine
CID 165104348
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
6-methoxy-2-N-(3-methoxyphenyl)pyridine-2,5-diamine
CID 43261675
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine (CID 135188115) is 4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine is COc1ccc(CN(C)Cc2cc(Nc3cccc(OC)c3)nc(N)n2)cc1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine?
The InChIKey is NVYMOYGYBCKNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-26(13-15-7-9-18(27-2)10-8-15)14-17-12-20(25-21(22)24-17)23-16-5-4-6-19(11-16)28-3/h4-12H,13-14H2,1-3H3,(H3,22,23,24,25).
What are the key properties of 4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine?
4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine has a molecular weight of 379.46 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135188115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).