4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine

C14H18ClN5 — CID 19135528

IUPAC4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
SMILESCCCNc1ncnc(NCc2ccccc2Cl)c1N
InChIInChI=1S/C14H18ClN5/c1-2-7-17-13-12(16)14(20-9-19-13)18-8-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8,16H2,1H3,(H2,17,18,19,20)
InChIKeyOFWIAFJEXQRNLT-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.15
Rot. Bonds6

About 4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine

4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine (PubChem CID 19135528) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
PubChem CID19135528
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
SMILESCCCNc1ncnc(NCc2ccccc2Cl)c1N
InChIInChI=1S/C14H18ClN5/c1-2-7-17-13-12(16)14(20-9-19-13)18-8-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8,16H2,1H3,(H2,17,18,19,20)
InChIKeyOFWIAFJEXQRNLT-UHFFFAOYSA-N
XLogP3.15
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19150506
4-N-[(2-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145647
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19137045
4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80784843
6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147870
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80932408
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
4-N-(4-bromophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19148860
6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146799
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80786539
4-N-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19149957
N'-[5-amino-6-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19152277

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine (CID 19135528) is 4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine is CCCNc1ncnc(NCc2ccccc2Cl)c1N.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine?
The InChIKey is OFWIAFJEXQRNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-2-7-17-13-12(16)14(20-9-19-13)18-8-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8,16H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine?
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine has a molecular weight of 291.79 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).