4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide

C13H20N4O2S — CID 155572408

IUPAC4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCON(C)C(=O)c1cnc(SC)nc1NC1CCCC1
InChIInChI=1S/C13H20N4O2S/c1-17(19-2)12(18)10-8-14-13(20-3)16-11(10)15-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyUMOPHYRDDMLWKW-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.19
Rot. Bonds5

About 4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide

4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 155572408) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID155572408
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCON(C)C(=O)c1cnc(SC)nc1NC1CCCC1
InChIInChI=1S/C13H20N4O2S/c1-17(19-2)12(18)10-8-14-13(20-3)16-11(10)15-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyUMOPHYRDDMLWKW-UHFFFAOYSA-N
XLogP2.19
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 86065477
cyclopentanamine;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 159398317
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-methylsulfanylpyrimidine-5-carboxamide
CID 71237996
4-[[(1S,2S)-2-hydroxycyclopentyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 71237155
1-[4-(cyclopentylamino)-2-methylsulfanylpyrimidin-5-yl]ethanone;6-(cyclopentylamino)-2-sulfanylidene-1H-pyrimidine-5-carbaldehyde;deuterium monohydride;methane
CID 159936604
4-[(4-methoxycyclohexyl)amino]-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 169232430
1-[4-(cyclopentylamino)-2-methylsulfanylpyrimidin-5-yl]-2,2,2-trifluoroethanol
CID 11426779
5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine
CID 170869062
methyl 2-chloro-4-(cyclobutylamino)pyrimidine-5-carboxylate
CID 135200676
4-N,6-N-dicyclopentyl-5-iodo-2-methylsulfanylpyrimidine-4,6-diamine
CID 15603071
4-(cyclopropylamino)-N-methoxy-N,1,3-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 87129251
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 155572408) is 4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide is CON(C)C(=O)c1cnc(SC)nc1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is UMOPHYRDDMLWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-17(19-2)12(18)10-8-14-13(20-3)16-11(10)15-9-6-4-5-7-9/h8-9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 155572408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).