N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine

C21H27ClN6 — CID 92552797

IUPACN-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1ncc(-c2cccc(Cl)c2)c(-c2nccn2C)n1
InChIInChI=1S/C21H27ClN6/c1-21(2,14-27(3)4)13-25-20-24-12-17(15-7-6-8-16(22)11-15)18(26-20)19-23-9-10-28(19)5/h6-12H,13-14H2,1-5H3,(H,24,25,26)
InChIKeyGPVSEEHMEDYPRH-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.20
Rot. Bonds7

About N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 92552797) has the molecular formula C21H27ClN6 and a molecular weight of 398.94 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID92552797
Molecular FormulaC21H27ClN6
Molecular Weight398.94 g/mol
Exact Mass398.20
IUPAC NameN-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1ncc(-c2cccc(Cl)c2)c(-c2nccn2C)n1
InChIInChI=1S/C21H27ClN6/c1-21(2,14-27(3)4)13-25-20-24-12-17(15-7-6-8-16(22)11-15)18(26-20)19-23-9-10-28(19)5/h6-12H,13-14H2,1-5H3,(H,24,25,26)
InChIKeyGPVSEEHMEDYPRH-UHFFFAOYSA-N
XLogP4.20
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-2-amine
CID 110240343
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 92567567
4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-5-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 46951018
4-(4-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 46951024
N'-[4-(2,4-dichlorophenyl)-5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 22142893
5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-propan-2-ylpyrimidin-2-amine
CID 92580271
5-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 92567578
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-2-pyrrolidin-1-ylpyrimidine
CID 92567481
N-cyclopentyl-5-(4-fluorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-amine
CID 92567499
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182016
N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869545

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 92552797) is N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1ncc(-c2cccc(Cl)c2)c(-c2nccn2C)n1.
What is the InChIKey of N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is GPVSEEHMEDYPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN6/c1-21(2,14-27(3)4)13-25-20-24-12-17(15-7-6-8-16(22)11-15)18(26-20)19-23-9-10-28(19)5/h6-12H,13-14H2,1-5H3,(H,24,25,26).
What are the key properties of N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 398.94 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-4-(1-methylimidazol-2-yl)pyrimidin-2-yl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 92552797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).