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

C14H16Cl2N4 — CID 80786539

IUPAC5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCc2ccccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-2-7-17-14-19-9-12(16)13(20-14)18-8-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyGEYPTYNIJNSFAP-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.22
Rot. Bonds6

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

5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80786539) has the molecular formula C14H16Cl2N4 and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80786539
Molecular FormulaC14H16Cl2N4
Molecular Weight311.22 g/mol
Exact Mass310.08
IUPAC Name5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(Cl)c(NCc2ccccc2Cl)n1
InChIInChI=1S/C14H16Cl2N4/c1-2-7-17-14-19-9-12(16)13(20-14)18-8-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyGEYPTYNIJNSFAP-UHFFFAOYSA-N
XLogP4.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785478
5-chloro-4-N-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 80768239
5-chloro-4-N-[(3-ethylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80854706
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
5-chloro-4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754901
5-chloro-4-N-[(5-methylpyrazin-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80824616
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
5-chloro-4-N-(2-methoxyethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80765635
4-N-[(2-bromophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80794797
5-chloro-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816474
2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
CID 106258279

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80786539) is 5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(Cl)c(NCc2ccccc2Cl)n1.
What is the InChIKey of 5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is GEYPTYNIJNSFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4/c1-2-7-17-14-19-9-12(16)13(20-14)18-8-10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 311.22 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80786539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).