5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione

C9H16N4S — CID 117212570

IUPAC5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione
SMILESCc1nc(=S)[nH]c(C)c1NCCCN
InChIInChI=1S/C9H16N4S/c1-6-8(11-5-3-4-10)7(2)13-9(14)12-6/h11H,3-5,10H2,1-2H3,(H,12,13,14)
InChIKeyZCUCINDFDLCFBH-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.52
Rot. Bonds4

About 5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione

5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione (PubChem CID 117212570) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione
PubChem CID117212570
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione
SMILESCc1nc(=S)[nH]c(C)c1NCCCN
InChIInChI=1S/C9H16N4S/c1-6-8(11-5-3-4-10)7(2)13-9(14)12-6/h11H,3-5,10H2,1-2H3,(H,12,13,14)
InChIKeyZCUCINDFDLCFBH-UHFFFAOYSA-N
XLogP1.52
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212541
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione
CID 115070125
N'-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212520
4,5,6-trimethyl-1H-pyrimidine-2-thione
CID 2441048
N'-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)propane-1,3-diamine
CID 117212600
N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine
CID 117212536
5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one
CID 117211415
2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one
CID 136814266
N-butyl-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547243
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine
CID 83064699
3,5-dimethyl-N-propyl-1H-pyrazol-4-amine
CID 43547244
3-(4-aminobutylamino)-4-(methylsulfanylmethyl)cyclobut-3-ene-1,2-dithione
CID 167268188

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione?
The IUPAC name of 5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione (CID 117212570) is 5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione?
The canonical SMILES for 5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione is Cc1nc(=S)[nH]c(C)c1NCCCN.
What is the InChIKey of 5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione?
The InChIKey is ZCUCINDFDLCFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6-8(11-5-3-4-10)7(2)13-9(14)12-6/h11H,3-5,10H2,1-2H3,(H,12,13,14).
What are the key properties of 5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione?
5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione has a molecular weight of 212.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylamino)-4,6-dimethyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 117212570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).