N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine

C12H22N4 — CID 43395227

IUPACN',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCCN(C)C)nc(C(C)C)n1
InChIInChI=1S/C12H22N4/c1-9(2)12-14-10(3)8-11(15-12)13-6-7-16(4)5/h8-9H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyNNVCLBJIZZWDAK-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.88
Rot. Bonds5

About N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 43395227) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
PubChem CID43395227
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1cc(NCCN(C)C)nc(C(C)C)n1
InChIInChI=1S/C12H22N4/c1-9(2)12-14-10(3)8-11(15-12)13-6-7-16(4)5/h8-9H,6-7H2,1-5H3,(H,13,14,15)
InChIKeyNNVCLBJIZZWDAK-UHFFFAOYSA-N
XLogP1.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80969220
N'-(2-methoxyethyl)-N'-methyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 55126677
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
N-(6-ethoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82453924
6-[2-(dimethylamino)ethylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 95462594
2-N,2-N,2-trimethyl-1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
CID 54941206
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
N-(6-butoxy-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454377
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83030494
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine (CID 43395227) is N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine is Cc1cc(NCCN(C)C)nc(C(C)C)n1.
What is the InChIKey of N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is NNVCLBJIZZWDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)12-14-10(3)8-11(15-12)13-6-7-16(4)5/h8-9H,6-7H2,1-5H3,(H,13,14,15).
What are the key properties of N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43395227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).