2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione

C16H26N4S — CID 82457495

IUPAC2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCC1(C)CC(Nc2cc(=S)nc(C3CC3)[nH]2)CC(C)(C)N1
InChIInChI=1S/C16H26N4S/c1-15(2)8-11(9-16(3,4)20-15)17-12-7-13(21)19-14(18-12)10-5-6-10/h7,10-11,20H,5-6,8-9H2,1-4H3,(H2,17,18,19,21)
InChIKeyLFTXOCZXSXYVJH-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.74
Rot. Bonds3

About 2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione

2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (PubChem CID 82457495) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
PubChem CID82457495
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione
SMILESCC1(C)CC(Nc2cc(=S)nc(C3CC3)[nH]2)CC(C)(C)N1
InChIInChI=1S/C16H26N4S/c1-15(2)8-11(9-16(3,4)20-15)17-12-7-13(21)19-14(18-12)10-5-6-10/h7,10-11,20H,5-6,8-9H2,1-4H3,(H2,17,18,19,21)
InChIKeyLFTXOCZXSXYVJH-UHFFFAOYSA-N
XLogP3.74
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione (CID 82457495) is 2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is CC1(C)CC(Nc2cc(=S)nc(C3CC3)[nH]2)CC(C)(C)N1.
What is the InChIKey of 2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
The InChIKey is LFTXOCZXSXYVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-15(2)8-11(9-16(3,4)20-15)17-12-7-13(21)19-14(18-12)10-5-6-10/h7,10-11,20H,5-6,8-9H2,1-4H3,(H2,17,18,19,21).
What are the key properties of 2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione?
2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione has a molecular weight of 306.48 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).