6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine

C18H25N5O — CID 112907068

IUPAC6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C18H25N5O/c1-3-8-19-18-20-14(2)13-17(22-18)21-15-6-4-5-7-16(15)23-9-11-24-12-10-23/h4-7,13H,3,8-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyPQVHQSUGGSVLEN-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.19
Rot. Bonds6

About 6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine

6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112907068) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID112907068
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C18H25N5O/c1-3-8-19-18-20-14(2)13-17(22-18)21-15-6-4-5-7-16(15)23-9-11-24-12-10-23/h4-7,13H,3,8-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyPQVHQSUGGSVLEN-UHFFFAOYSA-N
XLogP3.19
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867271
6-methyl-N-(2-morpholin-4-ylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109319018
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112928044
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112913560
4-N-cyclopropyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112907508
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873778
4-methyl-N-(2-morpholin-4-ylphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909374
ethyl 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 112913415
4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112928805
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112878299

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 112907068) is 6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is PQVHQSUGGSVLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-8-19-18-20-14(2)13-17(22-18)21-15-6-4-5-7-16(15)23-9-11-24-12-10-23/h4-7,13H,3,8-12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine?
6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 327.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112907068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).