N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

C25H32N4O4 — CID 164938822

IUPACN-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCCN(Cc1ccc(OC(C)C)c(OC)c1)C(=O)c1c(C)oc2ncnc(NC3(C)CC3)c12
InChIInChI=1S/C25H32N4O4/c1-7-29(13-17-8-9-18(32-15(2)3)19(12-17)31-6)24(30)20-16(4)33-23-21(20)22(26-14-27-23)28-25(5)10-11-25/h8-9,12,14-15H,7,10-11,13H2,1-6H3,(H,26,27,28)
InChIKeyZHFDRJLWOUBJQS-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.95
Rot. Bonds9

About N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide

N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 164938822) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID164938822
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCCN(Cc1ccc(OC(C)C)c(OC)c1)C(=O)c1c(C)oc2ncnc(NC3(C)CC3)c12
InChIInChI=1S/C25H32N4O4/c1-7-29(13-17-8-9-18(32-15(2)3)19(12-17)31-6)24(30)20-16(4)33-23-21(20)22(26-14-27-23)28-25(5)10-11-25/h8-9,12,14-15H,7,10-11,13H2,1-6H3,(H,26,27,28)
InChIKeyZHFDRJLWOUBJQS-UHFFFAOYSA-N
XLogP4.95
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635290
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-[(5-methoxy-2-pyridinyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635755
N-[[5-(dihydroxyamino)-2-fluorophenyl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 161014947
N-tert-butyl-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635366
6-methyl-4-[(1-methylcyclopropyl)amino]-N-(1,3-thiazol-5-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 138635849
[4-(3-methoxyphenyl)pyrazol-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635936
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830850
N-(3-fluorocyclobutyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635318
N-[[4-(1-fluoro-1-phosphanylethyl)-6-methylpyrimidin-2-yl]methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 170209703
(3-fluoro-3-phenylazetidin-1-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138636016

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 164938822) is N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is CCN(Cc1ccc(OC(C)C)c(OC)c1)C(=O)c1c(C)oc2ncnc(NC3(C)CC3)c12.
What is the InChIKey of N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ZHFDRJLWOUBJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-7-29(13-17-8-9-18(32-15(2)3)19(12-17)31-6)24(30)20-16(4)33-23-21(20)22(26-14-27-23)28-25(5)10-11-25/h8-9,12,14-15H,7,10-11,13H2,1-6H3,(H,26,27,28).
What are the key properties of N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 164938822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).