3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride

C15H21ClN4O3 — CID 120576626

IUPAC3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-8-10(5-4-6-16-8)18-13(20)11-9(2)22-14-12(11)15(21)19(3)7-17-14;/h7-8,10,16H,4-6H2,1-3H3,(H,18,20);1H
InChIKeyKNILFBKAOBIXNO-UHFFFAOYSA-N
MW340.81 g/mol
LogP1.13
Rot. Bonds2

About 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride

3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 120576626) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride
PubChem CID120576626
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC Name3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-8-10(5-4-6-16-8)18-13(20)11-9(2)22-14-12(11)15(21)19(3)7-17-14;/h7-8,10,16H,4-6H2,1-3H3,(H,18,20);1H
InChIKeyKNILFBKAOBIXNO-UHFFFAOYSA-N
XLogP1.13
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 154795938
N-[cyclohexyl(phenyl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55690015
3,6-dimethyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949858
N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 55688895
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949926
3-methyl-N-(2-methylpiperidin-3-yl)furan-2-carboxamide;hydrochloride
CID 120577222
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55892404
N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209371
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 31218675
3,6-dimethyl-N-(2-methylpiperidin-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120574234
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55407762
N-(3-acetylphenyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 40660482

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride (CID 120576626) is 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride is Cc1oc2ncn(C)c(=O)c2c1C(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is KNILFBKAOBIXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/c1-8-10(5-4-6-16-8)18-13(20)11-9(2)22-14-12(11)15(21)19(3)7-17-14;/h7-8,10,16H,4-6H2,1-3H3,(H,18,20);1H.
What are the key properties of 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride?
3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(2-methylpiperidin-3-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 120576626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).