N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine

C11H19ClN4 — CID 63734759

IUPACN-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc(Cl)c1C
InChIInChI=1S/C11H19ClN4/c1-4-16(5-2)7-6-13-11-9(3)10(12)14-8-15-11/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyOVAFMCHMBMNGFK-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.19
Rot. Bonds6

About N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine

N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 63734759) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID63734759
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC NameN-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ncnc(Cl)c1C
InChIInChI=1S/C11H19ClN4/c1-4-16(5-2)7-6-13-11-9(3)10(12)14-8-15-11/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyOVAFMCHMBMNGFK-UHFFFAOYSA-N
XLogP2.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
N-(6-chloro-5-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 55229294
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
4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842912
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 110430242
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
6-chloro-5-methyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 115521565
4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80833362
N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 110431927
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
CID 81035871

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine (CID 63734759) is N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ncnc(Cl)c1C.
What is the InChIKey of N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is OVAFMCHMBMNGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-4-16(5-2)7-6-13-11-9(3)10(12)14-8-15-11/h8H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine?
N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 63734759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).