N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide

C14H17N5O4S — CID 135541128

IUPACN-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESCC(C)NC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1
InChIInChI=1S/C14H17N5O4S/c1-7(2)16-9(20)6-24-14-18-11(15)10(13(22)19-14)17-12(21)8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,21)(H3,15,18,19,22)
InChIKeyQYNYTFYEZKVVAU-UHFFFAOYSA-N
MW351.39 g/mol
LogP0.81
Rot. Bonds6

About N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide

N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide (PubChem CID 135541128) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide
PubChem CID135541128
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC NameN-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide
SMILESCC(C)NC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1
InChIInChI=1S/C14H17N5O4S/c1-7(2)16-9(20)6-24-14-18-11(15)10(13(22)19-14)17-12(21)8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,21)(H3,15,18,19,22)
InChIKeyQYNYTFYEZKVVAU-UHFFFAOYSA-N
XLogP0.81
TPSA143.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide?
The IUPAC name of N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide (CID 135541128) is N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide is CC(C)NC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1.
What is the InChIKey of N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide?
The InChIKey is QYNYTFYEZKVVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-7(2)16-9(20)6-24-14-18-11(15)10(13(22)19-14)17-12(21)8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,21)(H3,15,18,19,22).
What are the key properties of N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide?
N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]furan-2-carboxamide is sourced from PubChem (CID 135541128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).