6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

C12H19N3S — CID 106477833

IUPAC6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCCC2)nc(=S)c1C(C)C
InChIInChI=1S/C12H19N3S/c1-8(2)10-9(3)13-12(14-11(10)16)15-6-4-5-7-15/h8H,4-7H2,1-3H3,(H,13,14,16)
InChIKeyKPDXDEHTKWZWBF-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.17
Rot. Bonds2

About 6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione

6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106477833) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106477833
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCCC2)nc(=S)c1C(C)C
InChIInChI=1S/C12H19N3S/c1-8(2)10-9(3)13-12(14-11(10)16)15-6-4-5-7-15/h8H,4-7H2,1-3H3,(H,13,14,16)
InChIKeyKPDXDEHTKWZWBF-UHFFFAOYSA-N
XLogP3.17
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 21488402
6-Tert-butyl-2-pyrrolidin-1-ylpyrimidine-4-thiol
CID 33701674
6-propyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475047
6-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475303
6-ethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476056
5,6-dimethyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476578
5-ethyl-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106476825
2-(diethylamino)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476970
2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477081
2-(Diethylamino)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477476
2-(dimethylamino)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477859
6-methyl-2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477860

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione (CID 106477833) is 6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is Cc1[nH]c(N2CCCC2)nc(=S)c1C(C)C.
What is the InChIKey of 6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is KPDXDEHTKWZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8(2)10-9(3)13-12(14-11(10)16)15-6-4-5-7-15/h8H,4-7H2,1-3H3,(H,13,14,16).
What are the key properties of 6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione?
6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 237.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).