6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine

C19H19BrN4 — CID 67948626

IUPAC6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1cc(CBr)nc(Nc2ccccc2C)n1
InChIInChI=1S/C19H19BrN4/c1-13-7-3-5-9-16(13)22-18-11-15(12-20)21-19(24-18)23-17-10-6-4-8-14(17)2/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyKYPWZLZIRMSAFR-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.48
Rot. Bonds5

About 6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine

6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 67948626) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID67948626
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccccc1Nc1cc(CBr)nc(Nc2ccccc2C)n1
InChIInChI=1S/C19H19BrN4/c1-13-7-3-5-9-16(13)22-18-11-15(12-20)21-19(24-18)23-17-10-6-4-8-14(17)2/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyKYPWZLZIRMSAFR-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
2-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563569
4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
CID 91194048
4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine
CID 54402398
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927111
2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901822
6-methyl-4-N-(2-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112927032
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112925266
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
N-[4-[[4-methyl-6-(2-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112927042

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine (CID 67948626) is 6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine is Cc1ccccc1Nc1cc(CBr)nc(Nc2ccccc2C)n1.
What is the InChIKey of 6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is KYPWZLZIRMSAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-13-7-3-5-9-16(13)22-18-11-15(12-20)21-19(24-18)23-17-10-6-4-8-14(17)2/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine?
6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 383.29 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67948626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).