N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide

C15H19N5O3S — CID 135701152

IUPACN-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESNc1nc(SCCN2CCCC2)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C15H19N5O3S/c16-12-11(17-13(21)10-4-3-8-23-10)14(22)19-15(18-12)24-9-7-20-5-1-2-6-20/h3-4,8H,1-2,5-7,9H2,(H,17,21)(H3,16,18,19,22)
InChIKeyYNZJWXYIPIMBMN-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.39
Rot. Bonds6

About N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide

N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide (PubChem CID 135701152) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide
PubChem CID135701152
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESNc1nc(SCCN2CCCC2)[nH]c(=O)c1NC(=O)c1ccco1
InChIInChI=1S/C15H19N5O3S/c16-12-11(17-13(21)10-4-3-8-23-10)14(22)19-15(18-12)24-9-7-20-5-1-2-6-20/h3-4,8H,1-2,5-7,9H2,(H,17,21)(H3,16,18,19,22)
InChIKeyYNZJWXYIPIMBMN-UHFFFAOYSA-N
XLogP1.39
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide (CID 135701152) is N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide is Nc1nc(SCCN2CCCC2)[nH]c(=O)c1NC(=O)c1ccco1.
What is the InChIKey of N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is YNZJWXYIPIMBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c16-12-11(17-13(21)10-4-3-8-23-10)14(22)19-15(18-12)24-9-7-20-5-1-2-6-20/h3-4,8H,1-2,5-7,9H2,(H,17,21)(H3,16,18,19,22).
What are the key properties of N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide?
N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 135701152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).