N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine

C14H26N4 — CID 135105473

IUPACN-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine
SMILESCCc1cnc(C)nc1NCC(C)CN(C)CC
InChIInChI=1S/C14H26N4/c1-6-13-9-15-12(4)17-14(13)16-8-11(3)10-18(5)7-2/h9,11H,6-8,10H2,1-5H3,(H,15,16,17)
InChIKeyLMZZWZXBGHFKDU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.35
Rot. Bonds7

About N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine

N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine (PubChem CID 135105473) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine
PubChem CID135105473
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine
SMILESCCc1cnc(C)nc1NCC(C)CN(C)CC
InChIInChI=1S/C14H26N4/c1-6-13-9-15-12(4)17-14(13)16-8-11(3)10-18(5)7-2/h9,11H,6-8,10H2,1-5H3,(H,15,16,17)
InChIKeyLMZZWZXBGHFKDU-UHFFFAOYSA-N
XLogP2.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine (CID 135105473) is N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine is CCc1cnc(C)nc1NCC(C)CN(C)CC.
What is the InChIKey of N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine?
The InChIKey is LMZZWZXBGHFKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-13-9-15-12(4)17-14(13)16-8-11(3)10-18(5)7-2/h9,11H,6-8,10H2,1-5H3,(H,15,16,17).
What are the key properties of N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine?
N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(5-ethyl-2-methylpyrimidin-4-yl)-N,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 135105473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).