5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione

C10H19N3S — CID 163986956

IUPAC5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione
SMILESCCNC1C(CC)=C(C)NC(=S)N1C
InChIInChI=1S/C10H19N3S/c1-5-8-7(3)12-10(14)13(4)9(8)11-6-2/h9,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyTXEDTDNDZMNEEY-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.43
Rot. Bonds3

About 5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione

5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione (PubChem CID 163986956) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione.

Molecular Properties

Compound Name5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione
PubChem CID163986956
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione
SMILESCCNC1C(CC)=C(C)NC(=S)N1C
InChIInChI=1S/C10H19N3S/c1-5-8-7(3)12-10(14)13(4)9(8)11-6-2/h9,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyTXEDTDNDZMNEEY-UHFFFAOYSA-N
XLogP1.43
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-
CID 3034503
2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-
CID 3038099
3,4,4,5,6-pentamethyl-1H-pyrimidine-2-thione
CID 54268935
1-(3-Methyl-2-propan-2-ylbut-2-enyl)-3-propan-2-ylthiourea
CID 58801026
3-(3-Methyl-2-propan-2-ylbut-2-enyl)-1,1-di(propan-2-yl)thiourea
CID 58801028
N-(1-aminoethyl)-4-(aminomethyl)-N-methyl-1,2,3,6-tetrahydropyridine-5-carbothioamide
CID 89087713
4-Amino-5,6-dimethyl-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 90842118
4-Amino-6-ethyl-5-methyl-1,3,7,7a-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 123491948
N,4-dimethyl-3,6-dihydro-2H-pyridine-1-carbothioamide
CID 131129978
(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)thiourea
CID 144905345
5,6-Diethyl-1,2,3,4-tetrahydropyrimidine
CID 170291674
3-ethyl-4,5-di(propan-2-yl)-1H-imidazole-2-thione
CID 10443179

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione?
The IUPAC name of 5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione (CID 163986956) is 5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione.
What is the SMILES notation for 5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione?
The canonical SMILES for 5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione is CCNC1C(CC)=C(C)NC(=S)N1C.
What is the InChIKey of 5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione?
The InChIKey is TXEDTDNDZMNEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-8-7(3)12-10(14)13(4)9(8)11-6-2/h9,11H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione?
5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione has a molecular weight of 213.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(ethylamino)-3,6-dimethyl-1,4-dihydropyrimidine-2-thione is sourced from PubChem (CID 163986956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).