4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C18H24ClN5O2 — CID 112913369

IUPAC4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1cc(C)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C18H24ClN5O2/c1-13-11-17(22-15-12-14(19)3-4-16(15)25-2)23-18(21-13)20-5-6-24-7-9-26-10-8-24/h3-4,11-12H,5-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyIGLCXVVISAUAPP-UHFFFAOYSA-N
MW377.88 g/mol
LogP2.93
Rot. Bonds7

About 4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112913369) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112913369
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1Nc1cc(C)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C18H24ClN5O2/c1-13-11-17(22-15-12-14(19)3-4-16(15)25-2)23-18(21-13)20-5-6-24-7-9-26-10-8-24/h3-4,11-12H,5-10H2,1-2H3,(H2,20,21,22,23)
InChIKeyIGLCXVVISAUAPP-UHFFFAOYSA-N
XLogP2.93
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913408
4-N-(5-chloro-2-methoxyphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911985
2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913213
4-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921076
4-N-[(2-methoxyphenyl)methyl]-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913289
ethyl 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 112913415
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-(5-chloro-2-methoxyphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918369
4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887567
4-N-(5-chloro-2-methoxyphenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928420
N-[4-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112913388

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112913369) is 4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is COc1ccc(Cl)cc1Nc1cc(C)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is IGLCXVVISAUAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-13-11-17(22-15-12-14(19)3-4-16(15)25-2)23-18(21-13)20-5-6-24-7-9-26-10-8-24/h3-4,11-12H,5-10H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 377.88 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112913369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).