N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide

C19H30N4OS — CID 173127569

IUPACN-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide
SMILESCCCSc1nc(N2CCCCC2)ncc1C(=O)NC1CCCCC1
InChIInChI=1S/C19H30N4OS/c1-2-13-25-18-16(17(24)21-15-9-5-3-6-10-15)14-20-19(22-18)23-11-7-4-8-12-23/h14-15H,2-13H2,1H3,(H,21,24)
InChIKeyKIGDCFSQUKBDJM-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.03
Rot. Bonds6

About N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide

N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide (PubChem CID 173127569) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide
PubChem CID173127569
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC NameN-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide
SMILESCCCSc1nc(N2CCCCC2)ncc1C(=O)NC1CCCCC1
InChIInChI=1S/C19H30N4OS/c1-2-13-25-18-16(17(24)21-15-9-5-3-6-10-15)14-20-19(22-18)23-11-7-4-8-12-23/h14-15H,2-13H2,1H3,(H,21,24)
InChIKeyKIGDCFSQUKBDJM-UHFFFAOYSA-N
XLogP4.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide (CID 173127569) is N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide is CCCSc1nc(N2CCCCC2)ncc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide?
The InChIKey is KIGDCFSQUKBDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-2-13-25-18-16(17(24)21-15-9-5-3-6-10-15)14-20-19(22-18)23-11-7-4-8-12-23/h14-15H,2-13H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide?
N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide has a molecular weight of 362.54 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-piperidin-1-yl-4-propylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 173127569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).