2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione

C17H15N3S — CID 106519697

IUPAC2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione
SMILESCc1c(-c2cccc3cccnc23)[nH]c(C2CC2)nc1=S
InChIInChI=1S/C17H15N3S/c1-10-14(19-16(12-7-8-12)20-17(10)21)13-6-2-4-11-5-3-9-18-15(11)13/h2-6,9,12H,7-8H2,1H3,(H,19,20,21)
InChIKeyRNLJICLHCKVYEJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.54
Rot. Bonds2

About 2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione

2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione (PubChem CID 106519697) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione
PubChem CID106519697
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione
SMILESCc1c(-c2cccc3cccnc23)[nH]c(C2CC2)nc1=S
InChIInChI=1S/C17H15N3S/c1-10-14(19-16(12-7-8-12)20-17(10)21)13-6-2-4-11-5-3-9-18-15(11)13/h2-6,9,12H,7-8H2,1H3,(H,19,20,21)
InChIKeyRNLJICLHCKVYEJ-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.54
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-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106516796
2-cyclopropyl-6-(3-methoxyphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106515306
6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidine-4-thione
CID 106521963
8-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62876053
5-ethyl-6-quinolin-8-yl-1H-pyrimidine-4-thione
CID 106519661
8-cyclopropylquinoline
CID 66823369
8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline
CID 66312890
6-cyclopropyl-2-quinolin-8-ylpyrimidin-4-amine
CID 63970784
6-methyl-4-quinolin-8-yl-1H-pyrimidin-2-one
CID 106519681
2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one
CID 136769621
5-quinolin-8-yl-3H-1,3,4-thiadiazole-2-thione
CID 106519659
5-quinolin-8-yl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraene
CID 90282098

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione (CID 106519697) is 2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione is Cc1c(-c2cccc3cccnc23)[nH]c(C2CC2)nc1=S.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione?
The InChIKey is RNLJICLHCKVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-10-14(19-16(12-7-8-12)20-17(10)21)13-6-2-4-11-5-3-9-18-15(11)13/h2-6,9,12H,7-8H2,1H3,(H,19,20,21).
What are the key properties of 2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione?
2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione has a molecular weight of 293.39 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-quinolin-8-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106519697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).