2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C18H25N5O — CID 112887341

IUPAC2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(NCCN3CCOCC3)n2)cc1C
InChIInChI=1S/C18H25N5O/c1-14-3-4-16(13-15(14)2)21-18-20-6-5-17(22-18)19-7-8-23-9-11-24-12-10-23/h3-6,13H,7-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyWYZIMGQAXIPDIQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.58
Rot. Bonds6

About 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112887341) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112887341
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nccc(NCCN3CCOCC3)n2)cc1C
InChIInChI=1S/C18H25N5O/c1-14-3-4-16(13-15(14)2)21-18-20-6-5-17(22-18)19-7-8-23-9-11-24-12-10-23/h3-6,13H,7-12H2,1-2H3,(H2,19,20,21,22)
InChIKeyWYZIMGQAXIPDIQ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
N-[3-[[4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112887387
2-N-(2,6-difluorophenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887432
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882667
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887526
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
4-N-[(3-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887443
4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112902564
2-N-(3,4-dimethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886076
4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
CID 24797792
2-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167956

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112887341) is 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nccc(NCCN3CCOCC3)n2)cc1C.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is WYZIMGQAXIPDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-3-4-16(13-15(14)2)21-18-20-6-5-17(22-18)19-7-8-23-9-11-24-12-10-23/h3-6,13H,7-12H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 327.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112887341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).