5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione

C9H13N3S — CID 82505499

IUPAC5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CC2)nc(=S)c1CN
InChIInChI=1S/C9H13N3S/c1-5-7(4-10)9(13)12-8(11-5)6-2-3-6/h6H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyZVSOPILJJSMIDC-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.78
Rot. Bonds2

About 5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione

5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 82505499) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID82505499
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CC2)nc(=S)c1CN
InChIInChI=1S/C9H13N3S/c1-5-7(4-10)9(13)12-8(11-5)6-2-3-6/h6H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyZVSOPILJJSMIDC-UHFFFAOYSA-N
XLogP1.78
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopropyl-4-mercapto-6-methylpyrimidine-5-carbonitrile
CID 28818768
2-(5,6-Dimethyl-1,4-dihydropyrimidin-2-yl)ethanamine
CID 156263879
5,6-dimethyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077026
2-ethyl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 94077048
2-(cyclopropylmethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476623
5,6-dimethyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
CID 106476671
2-[2-(diethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476684
2-[2-(dimethylamino)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476703
5,6-dimethyl-2-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106476752
2-butan-2-yl-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476766
5,6-dimethyl-2-(2-methylcyclopropyl)-1H-pyrimidine-4-thione
CID 106476805
2-cyclopropyl-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476899

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione (CID 82505499) is 5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione is Cc1[nH]c(C2CC2)nc(=S)c1CN.
What is the InChIKey of 5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is ZVSOPILJJSMIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-5-7(4-10)9(13)12-8(11-5)6-2-3-6/h6H,2-4,10H2,1H3,(H,11,12,13).
What are the key properties of 5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione?
5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 195.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-cyclopropyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82505499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).