N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

C21H24N4O3 — CID 138635290

IUPACN-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c1
InChIInChI=1S/C21H24N4O3/c1-13-16(20(26)25(3)11-14-6-5-7-15(10-14)27-4)17-18(24-21(2)8-9-21)22-12-23-19(17)28-13/h5-7,10,12H,8-9,11H2,1-4H3,(H,22,23,24)
InChIKeyDSQDEKBFKSZXEV-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.78
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 138635290) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID138635290
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c1
InChIInChI=1S/C21H24N4O3/c1-13-16(20(26)25(3)11-14-6-5-7-15(10-14)27-4)17-18(24-21(2)8-9-21)22-12-23-19(17)28-13/h5-7,10,12H,8-9,11H2,1-4H3,(H,22,23,24)
InChIKeyDSQDEKBFKSZXEV-UHFFFAOYSA-N
XLogP3.78
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 164938825
N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209498
N,6-dimethyl-4-[(1-methylcyclopropyl)amino]-N-[(2-methyl-1,4-dihydropyrimidin-6-yl)methyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209756
[4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635936
N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 161014947
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635786
N-[(2-ethylpyrimidin-4-yl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635882
N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635318
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
[(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635656
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 62243535

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 138635290) is N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is COc1cccc(CN(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is DSQDEKBFKSZXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-16(20(26)25(3)11-14-6-5-7-15(10-14)27-4)17-18(24-21(2)8-9-21)22-12-23-19(17)28-13/h5-7,10,12H,8-9,11H2,1-4H3,(H,22,23,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 138635290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).