N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine

C13H24N4O — CID 66317906

IUPACN-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1cc(N(C)CCNC(C)(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-6-18-12-9-11(14-10-15-12)17(5)8-7-16-13(2,3)4/h9-10,16H,6-8H2,1-5H3
InChIKeyAYMSLADSAQZABU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.70
Rot. Bonds6

About N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine

N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 66317906) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
PubChem CID66317906
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1cc(N(C)CCNC(C)(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-6-18-12-9-11(14-10-15-12)17(5)8-7-16-13(2,3)4/h9-10,16H,6-8H2,1-5H3
InChIKeyAYMSLADSAQZABU-UHFFFAOYSA-N
XLogP1.70
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 133484675
3-[(6-ethoxypyrimidin-4-yl)-methylamino]-1,1,1-trifluoropropan-2-ol
CID 75510074
6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine
CID 133485067
N-(2-bromocyclohexyl)-6-ethoxy-N-methylpyrimidin-4-amine
CID 102637637
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 133464216
N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine
CID 66334187
6-ethoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methylpyrimidin-4-amine
CID 133485041
N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 66327351
N-tert-butyl-N'-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62591788
6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66319466
N-tert-butyl-N'-methyl-N'-(1-methylimidazol-2-yl)ethane-1,2-diamine
CID 62593911
N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63873229

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine (CID 66317906) is N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine is CCOc1cc(N(C)CCNC(C)(C)C)ncn1.
What is the InChIKey of N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is AYMSLADSAQZABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-18-12-9-11(14-10-15-12)17(5)8-7-16-13(2,3)4/h9-10,16H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine?
N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 66317906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).