6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C19H21N5 — CID 112919252

IUPAC6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2ccccc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C19H21N5/c1-15-13-18(21-12-10-16-7-3-2-4-8-16)24-19(23-15)22-14-17-9-5-6-11-20-17/h2-9,11,13H,10,12,14H2,1H3,(H2,21,22,23,24)
InChIKeyMGRDIMXFTFECGX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.45
Rot. Bonds7

About 6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919252) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919252
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2ccccc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C19H21N5/c1-15-13-18(21-12-10-16-7-3-2-4-8-16)24-19(23-15)22-14-17-9-5-6-11-20-17/h2-9,11,13H,10,12,14H2,1H3,(H2,21,22,23,24)
InChIKeyMGRDIMXFTFECGX-UHFFFAOYSA-N
XLogP3.45
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919258
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919132
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
2-N-[(2-fluorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917338
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919308
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917858
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913622
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112919252) is 6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCCc2ccccc2)nc(NCc2ccccn2)n1.
What is the InChIKey of 6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MGRDIMXFTFECGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-15-13-18(21-12-10-16-7-3-2-4-8-16)24-19(23-15)22-14-17-9-5-6-11-20-17/h2-9,11,13H,10,12,14H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).