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

C14H17ClN4 — CID 80784843

IUPAC4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCc1ccccc1Cl
InChIInChI=1S/C14H17ClN4/c1-2-5-11-13(16)18-9-19-14(11)17-8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H3,16,17,18,19)
InChIKeyRRJNKISGVFQADP-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.28
Rot. Bonds5

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

4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 80784843) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
PubChem CID80784843
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCc1ccccc1Cl
InChIInChI=1S/C14H17ClN4/c1-2-5-11-13(16)18-9-19-14(11)17-8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H3,16,17,18,19)
InChIKeyRRJNKISGVFQADP-UHFFFAOYSA-N
XLogP3.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80932408
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
4-N-[(2-chlorophenyl)methyl]-6-(2,2-dimethylhydrazinyl)pyrimidine-4,5-diamine
CID 19145647
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525
6-N-[(2-chlorophenyl)methyl]-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19137045
4-N-[(2-chlorophenyl)methyl]-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19150506
6-N-[(2-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147870
N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80899023
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
4-N-(4-bromophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19148860

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine (CID 80784843) is 4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1NCc1ccccc1Cl.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is RRJNKISGVFQADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-2-5-11-13(16)18-9-19-14(11)17-8-10-6-3-4-7-12(10)15/h3-4,6-7,9H,2,5,8H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine?
4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80784843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).