2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

C19H20N4O — CID 112889572

IUPAC2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C19H20N4O/c1-24-17-10-6-5-9-16(17)14-21-18-11-12-20-19(23-18)22-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H2,20,21,22,23)
InChIKeyYDIZQDAEOSMTHQ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.71
Rot. Bonds7

About 2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine

2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112889572) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112889572
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C19H20N4O/c1-24-17-10-6-5-9-16(17)14-21-18-11-12-20-19(23-18)22-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H2,20,21,22,23)
InChIKeyYDIZQDAEOSMTHQ-UHFFFAOYSA-N
XLogP3.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
2-N-[(2-methoxyphenyl)methyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892258
2-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892144
2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883170
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892129
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117
4-N-[(2-methoxyphenyl)methyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112892223
4-N-benzyl-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112889425
2-N-(4-ethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892170
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892289
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112892157
4-N-(4-ethylphenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892306

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112889572) is 2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccccc1CNc1ccnc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YDIZQDAEOSMTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-24-17-10-6-5-9-16(17)14-21-18-11-12-20-19(23-18)22-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 320.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112889572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).