4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C18H25N5O3 — CID 112887531

IUPAC4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(NCCN3CCOCC3)n2)c(OC)c1
InChIInChI=1S/C18H25N5O3/c1-24-14-3-4-15(16(13-14)25-2)21-17-5-6-19-18(22-17)20-7-8-23-9-11-26-12-10-23/h3-6,13H,7-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyQRUOPLLUADXQBJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.98
Rot. Bonds8

About 4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112887531) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112887531
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2ccnc(NCCN3CCOCC3)n2)c(OC)c1
InChIInChI=1S/C18H25N5O3/c1-24-14-3-4-15(16(13-14)25-2)21-17-5-6-19-18(22-17)20-7-8-23-9-11-26-12-10-23/h3-6,13H,7-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyQRUOPLLUADXQBJ-UHFFFAOYSA-N
XLogP1.98
TPSA80.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887463
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887526
4-N-(2,4-dimethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892600
2-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167991
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
4-N-(2,4-dimethoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899399
4-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887567
4-N-(2-tert-butylphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887514
4-methoxy-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112683355
4-N-(2,4-dimethoxyphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897338
4-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207544
4-N-(2,4-dimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903212

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112887531) is 4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is COc1ccc(Nc2ccnc(NCCN3CCOCC3)n2)c(OC)c1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is QRUOPLLUADXQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-24-14-3-4-15(16(13-14)25-2)21-17-5-6-19-18(22-17)20-7-8-23-9-11-26-12-10-23/h3-6,13H,7-12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 359.43 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112887531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).