4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine

C14H17ClN4 — CID 80794819

IUPAC4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N(C)Cc2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN4/c1-10-8-13(18-14(16-2)17-10)19(3)9-11-6-4-5-7-12(11)15/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyLLVYIPPCLCHLRU-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.12
Rot. Bonds4

About 4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine

4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine (PubChem CID 80794819) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
PubChem CID80794819
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N(C)Cc2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN4/c1-10-8-13(18-14(16-2)17-10)19(3)9-11-6-4-5-7-12(11)15/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyLLVYIPPCLCHLRU-UHFFFAOYSA-N
XLogP3.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
CID 133313300
N-[(2-bromophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896379
2-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 62481777
N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107379915
4-N-[(2-chlorophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80794976
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
4-N-[(2-chlorophenyl)methyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898733
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112917025
4-N-(2,2-dimethylpropyl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 80819241
2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754221
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine (CID 80794819) is 4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(N(C)Cc2ccccc2Cl)n1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
The InChIKey is LLVYIPPCLCHLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-10-8-13(18-14(16-2)17-10)19(3)9-11-6-4-5-7-12(11)15/h4-8H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine?
4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-2-N,4-N,6-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80794819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).