N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C18H25N3O5 — CID 100815085

IUPACN-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCCn1cnc2oc(C)c(C(=O)NC3CCC(O)CC3)c2c1=O
InChIInChI=1S/C18H25N3O5/c1-11-14(16(23)20-12-4-6-13(22)7-5-12)15-17(26-11)19-10-21(18(15)24)8-3-9-25-2/h10,12-13,22H,3-9H2,1-2H3,(H,20,23)
InChIKeyBKLVXWQSGJRTAM-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.37
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 100815085) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID100815085
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCCn1cnc2oc(C)c(C(=O)NC3CCC(O)CC3)c2c1=O
InChIInChI=1S/C18H25N3O5/c1-11-14(16(23)20-12-4-6-13(22)7-5-12)15-17(26-11)19-10-21(18(15)24)8-3-9-25-2/h10,12-13,22H,3-9H2,1-2H3,(H,20,23)
InChIKeyBKLVXWQSGJRTAM-UHFFFAOYSA-N
XLogP1.37
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950232
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950324
3-(3-methoxypropyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950301
3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91950234
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950270
5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950231
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949989
N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
CID 91950154
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950213
3-(2-methoxyethyl)-6-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949952

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 100815085) is N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COCCCn1cnc2oc(C)c(C(=O)NC3CCC(O)CC3)c2c1=O.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BKLVXWQSGJRTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-11-14(16(23)20-12-4-6-13(22)7-5-12)15-17(26-11)19-10-21(18(15)24)8-3-9-25-2/h10,12-13,22H,3-9H2,1-2H3,(H,20,23).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 100815085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).