5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine

C14H13Cl2N7 — CID 142395275

IUPAC5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2nn[nH]n2)nc(C)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N7/c1-7-10(5-8-3-4-9(15)6-11(8)16)12(17-2)19-13(18-7)14-20-22-23-21-14/h3-4,6H,5H2,1-2H3,(H,17,18,19)(H,20,21,22,23)
InChIKeyHLEBYGIDICZUAD-UHFFFAOYSA-N
MW350.21 g/mol
LogP2.90
Rot. Bonds4

About 5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine

5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine (PubChem CID 142395275) has the molecular formula C14H13Cl2N7 and a molecular weight of 350.21 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine
PubChem CID142395275
Molecular FormulaC14H13Cl2N7
Molecular Weight350.21 g/mol
Exact Mass349.06
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine
SMILESCNc1nc(-c2nn[nH]n2)nc(C)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N7/c1-7-10(5-8-3-4-9(15)6-11(8)16)12(17-2)19-13(18-7)14-20-22-23-21-14/h3-4,6H,5H2,1-2H3,(H,17,18,19)(H,20,21,22,23)
InChIKeyHLEBYGIDICZUAD-UHFFFAOYSA-N
XLogP2.90
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide;4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxylic acid;5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(4H-triazol-5-yl)pyrimidin-4-amine;5-[(2,4-dichlorophenyl)methyl]-4-methyl-6-(methylamino)pyrimidine-2-carboxamide
CID 158695498
1-[2-[(2,4-dichlorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744094
2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66160720
4-chloro-5-[(2,4-dichlorophenyl)methyl]-6-methylpyrimidine-2-carboxamide
CID 142395203
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331
2-(3,4-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 55191562
5-[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593025
5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272859
2-(2,6-dichlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 55220126
5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66298412
2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 114076281
2-[(2,4-dichlorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740211

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine (CID 142395275) is 5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine is CNc1nc(-c2nn[nH]n2)nc(C)c1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine?
The InChIKey is HLEBYGIDICZUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N7/c1-7-10(5-8-3-4-9(15)6-11(8)16)12(17-2)19-13(18-7)14-20-22-23-21-14/h3-4,6H,5H2,1-2H3,(H,17,18,19)(H,20,21,22,23).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine?
5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine has a molecular weight of 350.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-N,6-dimethyl-2-(2H-tetrazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 142395275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).