N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

C13H23ClN4 — CID 82460551

IUPACN-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCc1cc(NCCCN(CC)CC)nc(Cl)n1
InChIInChI=1S/C13H23ClN4/c1-4-11-10-12(17-13(14)16-11)15-8-7-9-18(5-2)6-3/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyANODIUMZONLATI-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.84
Rot. Bonds8

About N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine

N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 82460551) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID82460551
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC NameN-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCc1cc(NCCCN(CC)CC)nc(Cl)n1
InChIInChI=1S/C13H23ClN4/c1-4-11-10-12(17-13(14)16-11)15-8-7-9-18(5-2)6-3/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyANODIUMZONLATI-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

4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82460544
2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine
CID 82460542
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
2-chloro-N-octyl-6-propylpyrimidin-4-amine
CID 82460778
4-N-[3-(diethylamino)propyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80942866
2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
CID 136779917
N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 559472
N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 62963177
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 504351

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine (CID 82460551) is N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is CCc1cc(NCCCN(CC)CC)nc(Cl)n1.
What is the InChIKey of N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is ANODIUMZONLATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-4-11-10-12(17-13(14)16-11)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-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine?
N-(2-chloro-6-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-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 82460551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).