5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

C15H14Cl2N4O2 — CID 118543280

IUPAC5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@@H]2CCc3c(Cl)cc(Cl)cc32)=C1N
InChIInChI=1S/C15H14Cl2N4O2/c1-6-12(18)13(21-15(23)19-6)14(22)20-11-3-2-8-9(11)4-7(16)5-10(8)17/h4-5,11H,1-3,18H2,(H,20,22)(H2,19,21,23)/t11-/m1/s1
InChIKeyPDEUYXUMTWLDIG-LLVKDONJSA-N
MW353.21 g/mol
LogP2.09
Rot. Bonds2

About 5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide

5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 118543280) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID118543280
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Name5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)NC(C(=O)N[C@@H]2CCc3c(Cl)cc(Cl)cc32)=C1N
InChIInChI=1S/C15H14Cl2N4O2/c1-6-12(18)13(21-15(23)19-6)14(22)20-11-3-2-8-9(11)4-7(16)5-10(8)17/h4-5,11H,1-3,18H2,(H,20,22)(H2,19,21,23)/t11-/m1/s1
InChIKeyPDEUYXUMTWLDIG-LLVKDONJSA-N
XLogP2.09
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide (CID 118543280) is 5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is C=C1NC(=O)NC(C(=O)N[C@@H]2CCc3c(Cl)cc(Cl)cc32)=C1N.
What is the InChIKey of 5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is PDEUYXUMTWLDIG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c1-6-12(18)13(21-15(23)19-6)14(22)20-11-3-2-8-9(11)4-7(16)5-10(8)17/h4-5,11H,1-3,18H2,(H,20,22)(H2,19,21,23)/t11-/m1/s1.
What are the key properties of 5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 353.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1R)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118543280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).