4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

C17H22BrN5O — CID 112857691

IUPAC4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1cc(Br)ccc1Nc1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C17H22BrN5O/c1-13-10-14(18)2-3-15(13)22-17-11-16(20-12-21-17)19-4-5-23-6-8-24-9-7-23/h2-3,10-12H,4-9H2,1H3,(H2,19,20,21,22)
InChIKeyDBMFXUKXAIFMLD-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.04
Rot. Bonds6

About 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine

4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (PubChem CID 112857691) has the molecular formula C17H22BrN5O and a molecular weight of 392.30 g/mol. Its IUPAC name is 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
PubChem CID112857691
Molecular FormulaC17H22BrN5O
Molecular Weight392.30 g/mol
Exact Mass391.10
IUPAC Name4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
SMILESCc1cc(Br)ccc1Nc1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C17H22BrN5O/c1-13-10-14(18)2-3-15(13)22-17-11-16(20-12-21-17)19-4-5-23-6-8-24-9-7-23/h2-3,10-12H,4-9H2,1H3,(H2,19,20,21,22)
InChIKeyDBMFXUKXAIFMLD-UHFFFAOYSA-N
XLogP3.04
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(2,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857698
4-N-(2-ethyl-6-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857635
2-[[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857711
6-N-(2-morpholin-4-ylethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112857696
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857717
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80788913
6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112867019
N-(4-bromo-2-methylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016834
N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344495
2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913213

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine (CID 112857691) is 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is Cc1cc(Br)ccc1Nc1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is DBMFXUKXAIFMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O/c1-13-10-14(18)2-3-15(13)22-17-11-16(20-12-21-17)19-4-5-23-6-8-24-9-7-23/h2-3,10-12H,4-9H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine?
4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 392.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).