4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C20H29N5O — CID 112913349

IUPAC4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1cc(C)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C20H29N5O/c1-4-17-7-5-6-15(2)19(17)23-18-14-16(3)22-20(24-18)21-8-9-25-10-12-26-13-11-25/h5-7,14H,4,8-13H2,1-3H3,(H2,21,22,23,24)
InChIKeyICUSYZNXKHKFPY-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.14
Rot. Bonds7

About 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112913349) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112913349
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1cc(C)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C20H29N5O/c1-4-17-7-5-6-15(2)19(17)23-18-14-16(3)22-20(24-18)21-8-9-25-10-12-26-13-11-25/h5-7,14H,4,8-13H2,1-3H3,(H2,21,22,23,24)
InChIKeyICUSYZNXKHKFPY-UHFFFAOYSA-N
XLogP3.14
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945329
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913193
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112913352
4-N-(2-ethyl-6-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857635
4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913356
N-[4-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112913388
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919939
ethyl 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 112913415
4-N-[(2-methoxyphenyl)methyl]-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913289
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913270
4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913408

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112913349) is 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is CCc1cccc(C)c1Nc1cc(C)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is ICUSYZNXKHKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-17-7-5-6-15(2)19(17)23-18-14-16(3)22-20(24-18)21-8-9-25-10-12-26-13-11-25/h5-7,14H,4,8-13H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 355.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112913349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).