4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine

C18H18N4O — CID 1473168

IUPAC4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)ncc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H18N4O/c1-22(2)17-16(12-20-18(19)21-17)13-8-10-15(11-9-13)23-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,19,20,21)
InChIKeyIERSTBYMJVHVAU-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.58
Rot. Bonds4

About 4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine

4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 1473168) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID1473168
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nc(N)ncc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H18N4O/c1-22(2)17-16(12-20-18(19)21-17)13-8-10-15(11-9-13)23-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,19,20,21)
InChIKeyIERSTBYMJVHVAU-UHFFFAOYSA-N
XLogP3.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine (CID 1473168) is 4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine is CN(C)c1nc(N)ncc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is IERSTBYMJVHVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22(2)17-16(12-20-18(19)21-17)13-8-10-15(11-9-13)23-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,19,20,21).
What are the key properties of 4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 306.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-5-(4-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 1473168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).