4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C12H20N4 — CID 80819298

IUPAC4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CC2(C)C)c1C
InChIInChI=1S/C12H20N4/c1-5-13-10-8(2)11(15-7-14-10)16-9-6-12(9,3)4/h7,9H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyMQQNMVGWJCYSRG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.43
Rot. Bonds4

About 4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80819298) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80819298
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CC2(C)C)c1C
InChIInChI=1S/C12H20N4/c1-5-13-10-8(2)11(15-7-14-10)16-9-6-12(9,3)4/h7,9H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyMQQNMVGWJCYSRG-UHFFFAOYSA-N
XLogP2.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856004
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789183
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80840348
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80853390
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855861
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one
CID 80817246
4-N-(2,2-dimethylcyclopropyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982436

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80819298) is 4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NC2CC2(C)C)c1C.
What is the InChIKey of 4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is MQQNMVGWJCYSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-5-13-10-8(2)11(15-7-14-10)16-9-6-12(9,3)4/h7,9H,5-6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80819298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).