N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine

C12H20N4 — CID 62980104

IUPACN'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCc1cc(NCCN(C)C2CC2)nc(C)n1
InChIInChI=1S/C12H20N4/c1-9-8-12(15-10(2)14-9)13-6-7-16(3)11-4-5-11/h8,11H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVZXIPKLBWUELOM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.60
Rot. Bonds5

About N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine (PubChem CID 62980104) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
PubChem CID62980104
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
SMILESCc1cc(NCCN(C)C2CC2)nc(C)n1
InChIInChI=1S/C12H20N4/c1-9-8-12(15-10(2)14-9)13-6-7-16(3)11-4-5-11/h8,11H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyVZXIPKLBWUELOM-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934905
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80954913
N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106193008
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
2-[2-[cyclopropyl(methyl)amino]ethylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547375
4-[2-[cyclopropyl(methyl)amino]ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975550
4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823019
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
N'-cyclopropyl-N'-methyl-N-pyrazin-2-ylethane-1,2-diamine
CID 62980641
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098
N'-cyclopentyl-N-(6-hydrazinylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 80914281

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine (CID 62980104) is N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine is Cc1cc(NCCN(C)C2CC2)nc(C)n1.
What is the InChIKey of N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
The InChIKey is VZXIPKLBWUELOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-8-12(15-10(2)14-9)13-6-7-16(3)11-4-5-11/h8,11H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62980104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).