2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C18H18BrN5 — CID 112895678

IUPAC2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1ccnc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C18H18BrN5/c1-24(12-8-14-5-9-20-10-6-14)17-7-11-21-18(23-17)22-16-4-2-3-15(19)13-16/h2-7,9-11,13H,8,12H2,1H3,(H,21,22,23)
InChIKeySLTBVRIHPLVXHY-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.06
Rot. Bonds6

About 2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112895678) has the molecular formula C18H18BrN5 and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112895678
Molecular FormulaC18H18BrN5
Molecular Weight384.28 g/mol
Exact Mass383.07
IUPAC Name2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1ccnc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C18H18BrN5/c1-24(12-8-14-5-9-20-10-6-14)17-7-11-21-18(23-17)22-16-4-2-3-15(19)13-16/h2-7,9-11,13H,8,12H2,1H3,(H,21,22,23)
InChIKeySLTBVRIHPLVXHY-UHFFFAOYSA-N
XLogP4.06
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3,4-dichlorophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895691
4-N-methyl-4-N-(2-pyridin-4-ylethyl)-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112895671
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887147
2-N-(2,5-dimethoxyphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112895655
2-N-(furan-2-ylmethyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889297
4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890689
2-N-[(4-chlorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112892018
3-N-(3-bromo-4-methylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954624
3-N-(4-bromo-3-methylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954659
4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80790430
4-N-[(3-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794547
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112895678) is 2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CN(CCc1ccncc1)c1ccnc(Nc2cccc(Br)c2)n1.
What is the InChIKey of 2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is SLTBVRIHPLVXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5/c1-24(12-8-14-5-9-20-10-6-14)17-7-11-21-18(23-17)22-16-4-2-3-15(19)13-16/h2-7,9-11,13H,8,12H2,1H3,(H,21,22,23).
What are the key properties of 2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 384.28 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112895678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).