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

C15H29N5 — CID 102997398

IUPACN'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
SMILESCCNCc1cnc(N(CC)CCCN(C)C)nc1C
InChIInChI=1S/C15H29N5/c1-6-16-11-14-12-17-15(18-13(14)3)20(7-2)10-8-9-19(4)5/h12,16H,6-11H2,1-5H3
InChIKeyWIUCSMBUPGITQP-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.67
Rot. Bonds9

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

N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine (PubChem CID 102997398) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
PubChem CID102997398
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
SMILESCCNCc1cnc(N(CC)CCCN(C)C)nc1C
InChIInChI=1S/C15H29N5/c1-6-16-11-14-12-17-15(18-13(14)3)20(7-2)10-8-9-19(4)5/h12,16H,6-11H2,1-5H3
InChIKeyWIUCSMBUPGITQP-UHFFFAOYSA-N
XLogP1.67
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83186097
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 83185920
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
N,N-dibutyl-4-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83185864
N'-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 83179650
N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995262
[2-(diethylamino)-4-methylpyrimidin-5-yl]methanol
CID 83183758
N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102976014
N'-ethyl-N'-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102995270
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 83185815
N'-ethyl-N'-[6-(ethylaminomethyl)pyrazin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 102997393

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine (CID 102997398) is N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine is CCNCc1cnc(N(CC)CCCN(C)C)nc1C.
What is the InChIKey of N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine?
The InChIKey is WIUCSMBUPGITQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-16-11-14-12-17-15(18-13(14)3)20(7-2)10-8-9-19(4)5/h12,16H,6-11H2,1-5H3.
What are the key properties of N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine?
N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine has a molecular weight of 279.43 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102997398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).