N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine

C11H20N4 — CID 103279487

IUPACN'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nccc(C(C)(C)C)n1
InChIInChI=1S/C11H20N4/c1-11(2,3)9-5-7-13-10(14-9)15(4)8-6-12/h5,7H,6,8,12H2,1-4H3
InChIKeyJRMYRPCVXKAEEM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.17
Rot. Bonds3

About N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine

N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 103279487) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
PubChem CID103279487
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nccc(C(C)(C)C)n1
InChIInChI=1S/C11H20N4/c1-11(2,3)9-5-7-13-10(14-9)15(4)8-6-12/h5,7H,6,8,12H2,1-4H3
InChIKeyJRMYRPCVXKAEEM-UHFFFAOYSA-N
XLogP1.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 103279448
N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 79660157
N-(2-chloroethyl)-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 64586649
N-methyl-4-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 133272153
N'-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 103279515
2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
CID 78964681
2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-4-carbothioamide
CID 107547487
N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 107875067
N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
CID 83839204
3-(4-tert-butylpyrimidin-2-yl)-2-methylpropan-1-amine
CID 116898247
N'-(4-ethyl-5-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 103279506
N'-methyl-N-(2-methylpropyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 64585882

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine (CID 103279487) is N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine is CN(CCN)c1nccc(C(C)(C)C)n1.
What is the InChIKey of N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is JRMYRPCVXKAEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,3)9-5-7-13-10(14-9)15(4)8-6-12/h5,7H,6,8,12H2,1-4H3.
What are the key properties of N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine?
N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103279487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).