4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

C20H23N5 — CID 112873361

IUPAC4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(c1cccc(C)c1)c1cc(NCc2ccccn2)nc(C)n1
InChIInChI=1S/C20H23N5/c1-4-25(18-10-7-8-15(2)12-18)20-13-19(23-16(3)24-20)22-14-17-9-5-6-11-21-17/h5-13H,4,14H2,1-3H3,(H,22,23,24)
InChIKeyJULXYZORVVCXCO-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.26
Rot. Bonds6

About 4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112873361) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112873361
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(c1cccc(C)c1)c1cc(NCc2ccccn2)nc(C)n1
InChIInChI=1S/C20H23N5/c1-4-25(18-10-7-8-15(2)12-18)20-13-19(23-16(3)24-20)22-14-17-9-5-6-11-21-17/h5-13H,4,14H2,1-3H3,(H,22,23,24)
InChIKeyJULXYZORVVCXCO-UHFFFAOYSA-N
XLogP4.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (CID 112873361) is 4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is CCN(c1cccc(C)c1)c1cc(NCc2ccccn2)nc(C)n1.
What is the InChIKey of 4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is JULXYZORVVCXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-4-25(18-10-7-8-15(2)12-18)20-13-19(23-16(3)24-20)22-14-17-9-5-6-11-21-17/h5-13H,4,14H2,1-3H3,(H,22,23,24).
What are the key properties of 4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 333.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-methyl-4-N-(3-methylphenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112873361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).