2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid

C18H25N5O3S — CID 171058129

IUPAC2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
SMILESCCC(CC)Oc1nc(NC2CCN(c3nccs3)CC2)cc(C(=O)O)n1
InChIInChI=1S/C18H25N5O3S/c1-3-13(4-2)26-17-21-14(16(24)25)11-15(22-17)20-12-5-8-23(9-6-12)18-19-7-10-27-18/h7,10-13H,3-6,8-9H2,1-2H3,(H,24,25)(H,20,21,22)
InChIKeyUVGTYNMOJZVJAO-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.28
Rot. Bonds8

About 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid

2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid (PubChem CID 171058129) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
PubChem CID171058129
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
SMILESCCC(CC)Oc1nc(NC2CCN(c3nccs3)CC2)cc(C(=O)O)n1
InChIInChI=1S/C18H25N5O3S/c1-3-13(4-2)26-17-21-14(16(24)25)11-15(22-17)20-12-5-8-23(9-6-12)18-19-7-10-27-18/h7,10-13H,3-6,8-9H2,1-2H3,(H,24,25)(H,20,21,22)
InChIKeyUVGTYNMOJZVJAO-UHFFFAOYSA-N
XLogP3.28
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid with MolForge

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Related Compounds

N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide
CID 75516708
1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 129433866
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75519126
6-[(1-acetylpiperidin-4-yl)amino]-2-(trifluoromethoxy)pyrimidine-4-carboxylic acid
CID 162745052
2-(2-methylphenoxy)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 90597199
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
[1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522599
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597214
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid (CID 171058129) is 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid is CCC(CC)Oc1nc(NC2CCN(c3nccs3)CC2)cc(C(=O)O)n1.
What is the InChIKey of 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
The InChIKey is UVGTYNMOJZVJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-3-13(4-2)26-17-21-14(16(24)25)11-15(22-17)20-12-5-8-23(9-6-12)18-19-7-10-27-18/h7,10-13H,3-6,8-9H2,1-2H3,(H,24,25)(H,20,21,22).
What are the key properties of 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid?
2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid has a molecular weight of 391.50 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 171058129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).