N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C14H14BrN5O3 — CID 91949856

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NCCn1cc(Br)cn1
InChIInChI=1S/C14H14BrN5O3/c1-8-10(11-13(23-8)17-7-19(2)14(11)22)12(21)16-3-4-20-6-9(15)5-18-20/h5-7H,3-4H2,1-2H3,(H,16,21)
InChIKeyNRSMOGPOFNSJIX-UHFFFAOYSA-N
MW380.20 g/mol
LogP1.22
Rot. Bonds4

About N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91949856) has the molecular formula C14H14BrN5O3 and a molecular weight of 380.20 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91949856
Molecular FormulaC14H14BrN5O3
Molecular Weight380.20 g/mol
Exact Mass379.03
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)NCCn1cc(Br)cn1
InChIInChI=1S/C14H14BrN5O3/c1-8-10(11-13(23-8)17-7-19(2)14(11)22)12(21)16-3-4-20-6-9(15)5-18-20/h5-7H,3-4H2,1-2H3,(H,16,21)
InChIKeyNRSMOGPOFNSJIX-UHFFFAOYSA-N
XLogP1.22
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[3-(4-bromoanilino)-3-oxopropyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55952217
N-[2-(4-iodophenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 71034289
N-[3-(2-ethylimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949886
3,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 55849068
3,6-dimethyl-N-[3-(6-methylindazol-1-yl)propyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949873
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 31218675
N-[3-(benzimidazol-1-yl)propyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949893
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 32735662
3,6-dimethyl-4-oxo-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91949897
2-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid
CID 119223894
3-[(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701077
N-[2-(4-chloro-2,7-dimethyl-1H-indol-3-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949862

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91949856) is N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCn1cc(Br)cn1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is NRSMOGPOFNSJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O3/c1-8-10(11-13(23-8)17-7-19(2)14(11)22)12(21)16-3-4-20-6-9(15)5-18-20/h5-7H,3-4H2,1-2H3,(H,16,21).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 380.20 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91949856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).