N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C19H27N3O3 — CID 53209396

IUPACN-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C19H27N3O3/c1-12(2)10-22-11-20-17-16(19(22)24)15(13(3)25-17)18(23)21(4)14-8-6-5-7-9-14/h11-12,14H,5-10H2,1-4H3
InChIKeyWYJZKODZCQCLSP-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.36
Rot. Bonds4

About N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53209396) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID53209396
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N(C)C1CCCCC1
InChIInChI=1S/C19H27N3O3/c1-12(2)10-22-11-20-17-16(19(22)24)15(13(3)25-17)18(23)21(4)14-8-6-5-7-9-14/h11-12,14H,5-10H2,1-4H3
InChIKeyWYJZKODZCQCLSP-UHFFFAOYSA-N
XLogP3.36
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-5-(2-methylpiperidine-1-carbonyl)-3-(2-methylpropyl)furo[2,3-d]pyrimidin-4-one
CID 53209401
N-[(1-benzylpyrrolidin-3-yl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 71035742
N-(3-ethoxypropyl)-N-(furan-2-ylmethyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209506
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209538
N-[(2-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 20925104
N-(3-chloro-4-methoxyphenyl)-6-methyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209384
ethyl 6-methyl-3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652028
ethyl 3-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653323
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
N-cyclohexyl-6-methyl-4-morpholin-4-yl-N-propan-2-ylfuro[2,3-d]pyrimidine-5-carboxamide
CID 20925367
3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950324
N-cyclopropyl-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 170207943

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 53209396) is N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is WYJZKODZCQCLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(2)10-22-11-20-17-16(19(22)24)15(13(3)25-17)18(23)21(4)14-8-6-5-7-9-14/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,6-dimethyl-3-(2-methylpropyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53209396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).