N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

C13H23ClN4 — CID 55229294

IUPACN-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCc1c(Cl)ncnc1NCCCN(CC)CC
InChIInChI=1S/C13H23ClN4/c1-4-11-12(14)16-10-17-13(11)15-8-7-9-18(5-2)6-3/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyQLJOZABEXKENSY-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.84
Rot. Bonds8

About N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 55229294) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID55229294
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC NameN-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCc1c(Cl)ncnc1NCCCN(CC)CC
InChIInChI=1S/C13H23ClN4/c1-4-11-12(14)16-10-17-13(11)15-8-7-9-18(5-2)6-3/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyQLJOZABEXKENSY-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 63734759
6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine
CID 106223062
2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311213
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
N-(5-bromopyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 66342316
6-chloro-5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 63729586
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 110430335
N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
6-chloro-5-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79350090

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (CID 55229294) is N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is CCc1c(Cl)ncnc1NCCCN(CC)CC.
What is the InChIKey of N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is QLJOZABEXKENSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-4-11-12(14)16-10-17-13(11)15-8-7-9-18(5-2)6-3/h10H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 270.81 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 55229294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).