4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C19H20BrN5 — CID 112921635

IUPAC4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Br)cc2)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C19H20BrN5/c1-14-13-18(23-17-5-3-16(20)4-6-17)24-19(22-14)25(2)12-9-15-7-10-21-11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,22,23,24)
InChIKeyBDQFPJFBSBPJAL-UHFFFAOYSA-N
MW398.31 g/mol
LogP4.37
Rot. Bonds6

About 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112921635) has the molecular formula C19H20BrN5 and a molecular weight of 398.31 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112921635
Molecular FormulaC19H20BrN5
Molecular Weight398.31 g/mol
Exact Mass397.09
IUPAC Name4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Br)cc2)nc(N(C)CCc2ccncc2)n1
InChIInChI=1S/C19H20BrN5/c1-14-13-18(23-17-5-3-16(20)4-6-17)24-19(22-14)25(2)12-9-15-7-10-21-11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,22,23,24)
InChIKeyBDQFPJFBSBPJAL-UHFFFAOYSA-N
XLogP4.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-tert-butyl-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921587
4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921618
2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921458
3-N-methyl-5-N-(4-methylphenyl)-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954722
4-N-(4-bromophenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919960
2-N,6-dimethyl-4-N-[(2-methylphenyl)methyl]-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112915803
2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919102
5-N-(4-bromo-2-methylphenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954791
4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895775
2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925744
6-N-(3,4-dimethylphenyl)-4-N,2-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112874388
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 63874581

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112921635) is 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Br)cc2)nc(N(C)CCc2ccncc2)n1.
What is the InChIKey of 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is BDQFPJFBSBPJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5/c1-14-13-18(23-17-5-3-16(20)4-6-17)24-19(22-14)25(2)12-9-15-7-10-21-11-8-15/h3-8,10-11,13H,9,12H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 398.31 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112921635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).