N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine

C11H19ClN4 — CID 106251840

IUPACN'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ncc(Cl)cn1
InChIInChI=1S/C11H19ClN4/c1-3-11(4-2,7-13)8-16-10-14-5-9(12)6-15-10/h5-6H,3-4,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeyGPMANKCJHXBADI-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.31
Rot. Bonds6

About N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine

N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine (PubChem CID 106251840) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine
PubChem CID106251840
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC NameN'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ncc(Cl)cn1
InChIInChI=1S/C11H19ClN4/c1-3-11(4-2,7-13)8-16-10-14-5-9(12)6-15-10/h5-6H,3-4,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeyGPMANKCJHXBADI-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 106251859
1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine
CID 115306111
N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251497
(2S)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 99719031
2,2-diethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 106251652
N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251417
5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine
CID 79557000
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 106251724
2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 106251431
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823329
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251512
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine (CID 106251840) is N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine is CCC(CC)(CN)CNc1ncc(Cl)cn1.
What is the InChIKey of N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine?
The InChIKey is GPMANKCJHXBADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-3-11(4-2,7-13)8-16-10-14-5-9(12)6-15-10/h5-6H,3-4,7-8,13H2,1-2H3,(H,14,15,16).
What are the key properties of N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine?
N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine is sourced from PubChem (CID 106251840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).