2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

C19H19BrN4 — CID 112890373

IUPAC2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2ccnc(Nc3ccc(Br)cc3C)n2)cc1
InChIInChI=1S/C19H19BrN4/c1-13-3-5-15(6-4-13)12-22-18-9-10-21-19(24-18)23-17-8-7-16(20)11-14(17)2/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyHHBRARSDLDCBJI-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.21
Rot. Bonds5

About 2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112890373) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112890373
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2ccnc(Nc3ccc(Br)cc3C)n2)cc1
InChIInChI=1S/C19H19BrN4/c1-13-3-5-15(6-4-13)12-22-18-9-10-21-19(24-18)23-17-8-7-16(20)11-14(17)2/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyHHBRARSDLDCBJI-UHFFFAOYSA-N
XLogP5.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892431
2-N-(4-bromo-2-methylphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882621
2-N-(2-bromo-4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893787
2-N-(4-bromo-2-methylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900415
2-N-(2,4-dimethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890347
4-N-(4-bromo-3-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890498
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
2-N-(3-chloro-4-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890332
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890511
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
2-N-(4-bromo-2-methylphenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919532

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112890373) is 2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1ccc(CNc2ccnc(Nc3ccc(Br)cc3C)n2)cc1.
What is the InChIKey of 2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HHBRARSDLDCBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-13-3-5-15(6-4-13)12-22-18-9-10-21-19(24-18)23-17-8-7-16(20)11-14(17)2/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112890373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).