6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione

C14H22N2S — CID 106477947

IUPAC6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CCC(C)C2)nc(=S)c1C(C)C
InChIInChI=1S/C14H22N2S/c1-8(2)12-10(4)15-13(16-14(12)17)11-6-5-9(3)7-11/h8-9,11H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyIJAKHQOKCSMPJN-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.47
Rot. Bonds2

About 6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione

6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477947) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106477947
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CCC(C)C2)nc(=S)c1C(C)C
InChIInChI=1S/C14H22N2S/c1-8(2)12-10(4)15-13(16-14(12)17)11-6-5-9(3)7-11/h8-9,11H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyIJAKHQOKCSMPJN-UHFFFAOYSA-N
XLogP4.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-difluorocyclopentyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 114217014
2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 114217015
2-(3,3-difluorocyclohexyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 114217016
5-Ethyl-2-isopropyl-6-methyl-pyrimidine-4-thiol
CID 94077028
2-cyclopentyl-6-propyl-1H-pyrimidine-4-thione
CID 106475044
2-(3-methylcyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475159
2-cyclopentyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475301
2-(3-methylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475415
2-(3-ethylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475492
6-methyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106475670
6-tert-butyl-2-cyclopentyl-1H-pyrimidine-4-thione
CID 106475802
6-tert-butyl-2-(3-methylcyclopentyl)-1H-pyrimidine-4-thione
CID 106475920

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106477947) is 6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(C2CCC(C)C2)nc(=S)c1C(C)C.
What is the InChIKey of 6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is IJAKHQOKCSMPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-8(2)12-10(4)15-13(16-14(12)17)11-6-5-9(3)7-11/h8-9,11H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione?
6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 250.41 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylcyclopentyl)-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).