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

C17H21Cl2N5O — CID 112913408

IUPAC4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C17H21Cl2N5O/c1-12-10-16(22-15-3-2-13(18)11-14(15)19)23-17(21-12)20-4-5-24-6-8-25-9-7-24/h2-3,10-11H,4-9H2,1H3,(H2,20,21,22,23)
InChIKeyCQOMFGSFOFMTHG-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.58
Rot. Bonds6

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

4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112913408) has the molecular formula C17H21Cl2N5O and a molecular weight of 382.30 g/mol. Its IUPAC name is 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112913408
Molecular FormulaC17H21Cl2N5O
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C17H21Cl2N5O/c1-12-10-16(22-15-3-2-13(18)11-14(15)19)23-17(21-12)20-4-5-24-6-8-25-9-7-24/h2-3,10-11H,4-9H2,1H3,(H2,20,21,22,23)
InChIKeyCQOMFGSFOFMTHG-UHFFFAOYSA-N
XLogP3.58
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913369
2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913213
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112913352
4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913356
4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887567
N-[4-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112913388
ethyl 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 112913415
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913349
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
6-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112913144
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913193

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112913408) is 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Cl)cc2Cl)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is CQOMFGSFOFMTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N5O/c1-12-10-16(22-15-3-2-13(18)11-14(15)19)23-17(21-12)20-4-5-24-6-8-25-9-7-24/h2-3,10-11H,4-9H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 382.30 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112913408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).