N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide

C20H20N4O4 — CID 136665264

IUPACN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3CC(c4cc(=O)[nH]c(N)n4)C3)o2)cc1
InChIInChI=1S/C20H20N4O4/c1-27-14-4-2-11(3-5-14)16-6-7-17(28-16)19(26)22-13-8-12(9-13)15-10-18(25)24-20(21)23-15/h2-7,10,12-13H,8-9H2,1H3,(H,22,26)(H3,21,23,24,25)
InChIKeyNZKJMYADNQPBLX-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.30
Rot. Bonds5

About N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide

N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 136665264) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID136665264
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NC3CC(c4cc(=O)[nH]c(N)n4)C3)o2)cc1
InChIInChI=1S/C20H20N4O4/c1-27-14-4-2-11(3-5-14)16-6-7-17(28-16)19(26)22-13-8-12(9-13)15-10-18(25)24-20(21)23-15/h2-7,10,12-13H,8-9H2,1H3,(H,22,26)(H3,21,23,24,25)
InChIKeyNZKJMYADNQPBLX-UHFFFAOYSA-N
XLogP2.30
TPSA123.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide (CID 136665264) is N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(-c2ccc(C(=O)NC3CC(c4cc(=O)[nH]c(N)n4)C3)o2)cc1.
What is the InChIKey of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is NZKJMYADNQPBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-27-14-4-2-11(3-5-14)16-6-7-17(28-16)19(26)22-13-8-12(9-13)15-10-18(25)24-20(21)23-15/h2-7,10,12-13H,8-9H2,1H3,(H,22,26)(H3,21,23,24,25).
What are the key properties of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide?
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-5-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 136665264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).