N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine

C10H17ClN4 — CID 117063434

IUPACN'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1ncnc(CC)c1Cl
InChIInChI=1S/C10H17ClN4/c1-3-8-9(11)10(15-7-14-8)13-6-5-12-4-2/h7,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyAXDJVFDDVCWRHP-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.71
Rot. Bonds6

About N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine

N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine (PubChem CID 117063434) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine
PubChem CID117063434
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC NameN'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1ncnc(CC)c1Cl
InChIInChI=1S/C10H17ClN4/c1-3-8-9(11)10(15-7-14-8)13-6-5-12-4-2/h7,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyAXDJVFDDVCWRHP-UHFFFAOYSA-N
XLogP1.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine
CID 171782361
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-ethylpyrimidin-4-amine;hydrochloride
CID 162332013
5-chloro-6-ethyl-N-(8-prop-2-enylsulfanyloctyl)pyrimidin-4-amine
CID 19892110
4,5-dichloro-6-ethylpyrimidine
CID 11137668
5-chloro-6-ethyl-N-(2-ethylnonyl)pyrimidin-4-amine
CID 67669579
5-chloro-N-[2-[4-(3-chloro-5-methylphenoxy)phenyl]ethyl]-6-ethylpyrimidin-4-amine
CID 118344893
6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299498
N-[2-(4-benzyl-2-methylphenoxy)ethyl]-5-chloro-6-ethylpyrimidin-4-amine
CID 67895073
1-[(5-chloro-6-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 67600890
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
5-bromo-N,6-diethylpyrimidin-4-amine
CID 66298468
5-chloro-6-ethyl-N-[1-(4-trimethylsilylphenyl)propyl]pyrimidin-4-amine
CID 18948857

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine (CID 117063434) is N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine is CCNCCNc1ncnc(CC)c1Cl.
What is the InChIKey of N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine?
The InChIKey is AXDJVFDDVCWRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-3-8-9(11)10(15-7-14-8)13-6-5-12-4-2/h7,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine?
N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine has a molecular weight of 228.73 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 117063434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).