6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione

C9H16N4S — CID 83872032

IUPAC6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione
SMILESCCN(CC)c1cc(CN)[nH]c(=S)n1
InChIInChI=1S/C9H16N4S/c1-3-13(4-2)8-5-7(6-10)11-9(14)12-8/h5H,3-4,6,10H2,1-2H3,(H,11,12,14)
InChIKeyCKCBKSDTRSTTJW-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.44
Rot. Bonds4

About 6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione

6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione (PubChem CID 83872032) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione
PubChem CID83872032
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione
SMILESCCN(CC)c1cc(CN)[nH]c(=S)n1
InChIInChI=1S/C9H16N4S/c1-3-13(4-2)8-5-7(6-10)11-9(14)12-8/h5H,3-4,6,10H2,1-2H3,(H,11,12,14)
InChIKeyCKCBKSDTRSTTJW-UHFFFAOYSA-N
XLogP1.44
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-6-(4-methylpiperazinyl)pyrimidine-2-thiol
CID 2322592
Purine, 2-mercapto-6,8,9-trimethyl-
CID 20379932
N,N-bis(6-methyl-2-sulfanyl-pyrimidine-4-yl)hexylenediamine
CID 129764220
(6-Methyl-2-sulfanylpyrimidin-4-yl)hexylenediamine
CID 129764357
4-Amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione
CID 88894721
6-methyl-4-(propan-2-ylamino)-1H-pyrimidine-2-thione
CID 89041658
6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione
CID 91488835
4-(ethylamino)-6-methyl-1H-pyrimidine-2-thione
CID 121597060
4-Amino-1-methyl-5-(prop-2-enylamino)pyrimidine-2-thione;ethane
CID 143758237
1-[6-(2-aminoethylimino)-2-methyl-2,3-dihydro-1H-pyrimidin-4-yl]-3-propan-2-ylthiourea
CID 156039580
6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidine-2-thione
CID 2322591
6-methyl-4-[3-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)amino]propylamino]-1H-pyrimidine-2-thione
CID 15784280

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione (CID 83872032) is 6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione is CCN(CC)c1cc(CN)[nH]c(=S)n1.
What is the InChIKey of 6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione?
The InChIKey is CKCBKSDTRSTTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-3-13(4-2)8-5-7(6-10)11-9(14)12-8/h5H,3-4,6,10H2,1-2H3,(H,11,12,14).
What are the key properties of 6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione?
6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione has a molecular weight of 212.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione is sourced from PubChem (CID 83872032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).