2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine

C11H20N4 — CID 106251859

IUPAC2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ncccn1
InChIInChI=1S/C11H20N4/c1-3-11(4-2,8-12)9-15-10-13-6-5-7-14-10/h5-7H,3-4,8-9,12H2,1-2H3,(H,13,14,15)
InChIKeyYJKQKHDJVDCALP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.65
Rot. Bonds6

About 2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine

2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine (PubChem CID 106251859) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine
PubChem CID106251859
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CN)CNc1ncccn1
InChIInChI=1S/C11H20N4/c1-3-11(4-2,8-12)9-15-10-13-6-5-7-14-10/h5-7H,3-4,8-9,12H2,1-2H3,(H,13,14,15)
InChIKeyYJKQKHDJVDCALP-UHFFFAOYSA-N
XLogP1.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[(pyrimidin-2-ylamino)methyl]butan-1-ol
CID 75431914
N'-(5-chloropyrimidin-2-yl)-2,2-diethylpropane-1,3-diamine
CID 106251840
2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 106251431
2,2-diethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 106251652
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 106251724
2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine
CID 106251952
2,2-diethyl-N'-(2-methoxy-4-pyridinyl)propane-1,3-diamine
CID 106252050
N'-(5-bromo-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251417
N-(3-chloro-2,2-dimethylpropyl)pyrimidin-2-amine
CID 115363809
N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251497
2-cyclopropyl-1-N-pyrimidin-2-ylpropane-1,2-diamine
CID 126987488
N'-(2,5-dimethylpyrazol-3-yl)-2,2-diethylpropane-1,3-diamine
CID 103569155

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine (CID 106251859) is 2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine is CCC(CC)(CN)CNc1ncccn1.
What is the InChIKey of 2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine?
The InChIKey is YJKQKHDJVDCALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-11(4-2,8-12)9-15-10-13-6-5-7-14-10/h5-7H,3-4,8-9,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine?
2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106251859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).