N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide

C24H38N4O3 — CID 110222877

IUPACN,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C(C)C)nc1C1CCC(CNC(=O)C2CCCO2)CC1
InChIInChI=1S/C24H38N4O3/c1-5-28(6-2)24(30)19-15-25-22(16(3)4)27-21(19)18-11-9-17(10-12-18)14-26-23(29)20-8-7-13-31-20/h15-18,20H,5-14H2,1-4H3,(H,26,29)
InChIKeyHEIBZSSQUYWOID-UHFFFAOYSA-N
MW430.59 g/mol
LogP3.65
Rot. Bonds8

About N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide

N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 110222877) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID110222877
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC NameN,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C(C)C)nc1C1CCC(CNC(=O)C2CCCO2)CC1
InChIInChI=1S/C24H38N4O3/c1-5-28(6-2)24(30)19-15-25-22(16(3)4)27-21(19)18-11-9-17(10-12-18)14-26-23(29)20-8-7-13-31-20/h15-18,20H,5-14H2,1-4H3,(H,26,29)
InChIKeyHEIBZSSQUYWOID-UHFFFAOYSA-N
XLogP3.65
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 110222877) is N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(C(C)C)nc1C1CCC(CNC(=O)C2CCCO2)CC1.
What is the InChIKey of N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is HEIBZSSQUYWOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-5-28(6-2)24(30)19-15-25-22(16(3)4)27-21(19)18-11-9-17(10-12-18)14-26-23(29)20-8-7-13-31-20/h15-18,20H,5-14H2,1-4H3,(H,26,29).
What are the key properties of N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide?
N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-[(oxolane-2-carbonylamino)methyl]cyclohexyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 110222877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).