6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine

C11H20N4 — CID 144696996

IUPAC6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine
SMILESCCN1CCN(C2=CC(C)N=CN2)CC1
InChIInChI=1S/C11H20N4/c1-3-14-4-6-15(7-5-14)11-8-10(2)12-9-13-11/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyGKVHKBKQZMNXIJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.49
Rot. Bonds2

About 6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine

6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine (PubChem CID 144696996) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine
PubChem CID144696996
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine
SMILESCCN1CCN(C2=CC(C)N=CN2)CC1
InChIInChI=1S/C11H20N4/c1-3-14-4-6-15(7-5-14)11-8-10(2)12-9-13-11/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyGKVHKBKQZMNXIJ-UHFFFAOYSA-N
XLogP0.49
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine
CID 90452825
1-[4-(4-Methyl-1,4-dihydropyrimidin-6-yl)piperazin-1-yl]ethanone
CID 90453658
(2S)-N,N,2-trimethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide
CID 90453969
N-[(E)-1-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
CID 118973028
N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide
CID 118973132
N-ethyl-4-(4-methyl-1,4-dihydropyrimidin-6-yl)piperazine-1-carboxamide
CID 118973362
4-Methyl-6-piperazin-1-yl-1,4-dihydropyrimidine
CID 118973363
4-Methyl-2-methylimino-6-(4-methylpiperazin-1-yl)-1,3-dihydropyrimidin-4-amine
CID 136388158
4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine
CID 139986213
5-Ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne
CID 143058914
4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 143492547
4-methyl-6-piperazin-1-yl-1H-pyrimidine-2,4-diamine
CID 149683400

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine (CID 144696996) is 6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine is CCN1CCN(C2=CC(C)N=CN2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine?
The InChIKey is GKVHKBKQZMNXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-14-4-6-15(7-5-14)11-8-10(2)12-9-13-11/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine?
6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine has a molecular weight of 208.31 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 144696996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).