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

C23H28N4O4 — CID 170209498

IUPACN-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(OC)cc(C(C)N(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c1
InChIInChI=1S/C23H28N4O4/c1-13(15-9-16(29-5)11-17(10-15)30-6)27(4)22(28)18-14(2)31-21-19(18)20(24-12-25-21)26-23(3)7-8-23/h9-13H,7-8H2,1-6H3,(H,24,25,26)
InChIKeyBUYGFSXWAOLRLP-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.35
Rot. Bonds7

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

N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 170209498) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID170209498
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1cc(OC)cc(C(C)N(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c1
InChIInChI=1S/C23H28N4O4/c1-13(15-9-16(29-5)11-17(10-15)30-6)27(4)22(28)18-14(2)31-21-19(18)20(24-12-25-21)26-23(3)7-8-23/h9-13H,7-8H2,1-6H3,(H,24,25,26)
InChIKeyBUYGFSXWAOLRLP-UHFFFAOYSA-N
XLogP4.35
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide (CID 170209498) is N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is COc1cc(OC)cc(C(C)N(C)C(=O)c2c(C)oc3ncnc(NC4(C)CC4)c23)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is BUYGFSXWAOLRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-13(15-9-16(29-5)11-17(10-15)30-6)27(4)22(28)18-14(2)31-21-19(18)20(24-12-25-21)26-23(3)7-8-23/h9-13H,7-8H2,1-6H3,(H,24,25,26).
What are the key properties of N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide?
N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)ethyl]-N,6-dimethyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 170209498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).